NPASS drugs

Drug Information

Drug ID:	NPD6667
Drug Name:	Fesoterodine
Molecular Formula:	C26H37NO3
Canonical SMILES:	OCc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)OC(=O)C(C)C
Standard InCHI:	InChI=1S/C26H37NO3/c1-18(2)26(29)30-25-13-12-21(17-28)16-24(25)23(22-10-8-7-9-11-22)14-15-27(19(3)4)20(5)6/h7-13,16,18-20,23,28H,14-15,17H2,1-6H3/t23-/m1/s1
Standard InCHIKey:	DCCSDBARQIPTGU-HSZRJFAPSA-N
Max Developmental Stage:	Approved
Max Developmental Stage Source:	TTD; ChEMBL; IUPHAR/BPS

Structural Similarity Between NPASS Natural Products and NPD6667

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.

Range	Similarity Score Range
0-0.1	118
0.1-0.2	711
0.2-0.3	1899
0.3-0.4	6372
0.4-0.5	7041
0.5-0.6	4569
0.6-0.7	9250
0.7-0.8	930
0.8-0.85	0
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similar Natural Products

High Similarity Level: Tc>=0.85; Intermediate Similarity Level: 0.7 <= Tc < 0.85; Remote Similarity Level: 0.65 <= Tc < 0.7

Similarity Level	Similarity Score	Natural Product ID
Intermediate Similarity	0.7929	NPC150026
Intermediate Similarity	0.7895	NPC313414
Intermediate Similarity	0.7887	NPC81641
Intermediate Similarity	0.7847	NPC283079
Intermediate Similarity	0.7842	NPC321133
Intermediate Similarity	0.774	NPC249425
Intermediate Similarity	0.7725	NPC241704
Intermediate Similarity	0.7703	NPC31849
Intermediate Similarity	0.7671	NPC93962
Intermediate Similarity	0.7664	NPC235250
Intermediate Similarity	0.7636	NPC474881
Intermediate Similarity	0.7633	NPC32154
Intermediate Similarity	0.7619	NPC32463
Intermediate Similarity	0.7603	NPC38664
Intermediate Similarity	0.7603	NPC53986
Intermediate Similarity	0.7574	NPC309692
Intermediate Similarity	0.7572	NPC469437
Intermediate Similarity	0.7569	NPC95733
Intermediate Similarity	0.7569	NPC89630
Intermediate Similarity	0.7569	NPC62101
Intermediate Similarity	0.7568	NPC470392
Intermediate Similarity	0.7566	NPC151946
Intermediate Similarity	0.7566	NPC37428
Intermediate Similarity	0.7566	NPC278600
Intermediate Similarity	0.7566	NPC35501
Intermediate Similarity	0.7566	NPC144512
Intermediate Similarity	0.7566	NPC47040
Intermediate Similarity	0.7566	NPC137262
Intermediate Similarity	0.755	NPC26954
Intermediate Similarity	0.755	NPC38099
Intermediate Similarity	0.7545	NPC129578
Intermediate Similarity	0.7536	NPC161696
Intermediate Similarity	0.7534	NPC243688
Intermediate Similarity	0.7533	NPC50896
Intermediate Similarity	0.7533	NPC204353
Intermediate Similarity	0.7533	NPC131950
Intermediate Similarity	0.7533	NPC326600
Intermediate Similarity	0.7532	NPC131971
Intermediate Similarity	0.7517	NPC29477
Intermediate Similarity	0.7517	NPC194277
Intermediate Similarity	0.7515	NPC124657
Intermediate Similarity	0.75	NPC155963
Intermediate Similarity	0.75	NPC163898
Intermediate Similarity	0.75	NPC43716
Intermediate Similarity	0.75	NPC108994
Intermediate Similarity	0.75	NPC106126
Intermediate Similarity	0.75	NPC307020
Intermediate Similarity	0.75	NPC101255
Intermediate Similarity	0.75	NPC475719
Intermediate Similarity	0.75	NPC131198
Intermediate Similarity	0.7485	NPC119649
Intermediate Similarity	0.7485	NPC205255
Intermediate Similarity	0.7485	NPC271388
Intermediate Similarity	0.7485	NPC235143
Intermediate Similarity	0.7485	NPC230956
Intermediate Similarity	0.7483	NPC469453
Intermediate Similarity	0.7483	NPC274717
Intermediate Similarity	0.7483	NPC185066
Intermediate Similarity	0.7471	NPC283207
Intermediate Similarity	0.7469	NPC315707
Intermediate Similarity	0.7469	NPC65490
Intermediate Similarity	0.7469	NPC129603
Intermediate Similarity	0.7469	NPC78359
Intermediate Similarity	0.7469	NPC40389
Intermediate Similarity	0.7469	NPC148014
Intermediate Similarity	0.7468	NPC155552
Intermediate Similarity	0.7468	NPC138149
Intermediate Similarity	0.7468	NPC195357
Intermediate Similarity	0.7468	NPC152771
Intermediate Similarity	0.7468	NPC287286
Intermediate Similarity	0.7467	NPC26394
Intermediate Similarity	0.7466	NPC230479
Intermediate Similarity	0.7466	NPC283049
Intermediate Similarity	0.7466	NPC50315
Intermediate Similarity	0.7466	NPC218323
Intermediate Similarity	0.7466	NPC276212
Intermediate Similarity	0.7466	NPC26879
Intermediate Similarity	0.7465	NPC263835
Intermediate Similarity	0.7464	NPC35344
Intermediate Similarity	0.7464	NPC141003
Intermediate Similarity	0.7452	NPC476151
Intermediate Similarity	0.7451	NPC189724
Intermediate Similarity	0.7451	NPC279573
Intermediate Similarity	0.7451	NPC212850
Intermediate Similarity	0.7451	NPC83289
Intermediate Similarity	0.7451	NPC211110
Intermediate Similarity	0.745	NPC244888
Intermediate Similarity	0.745	NPC211413
Intermediate Similarity	0.745	NPC129784
Intermediate Similarity	0.745	NPC207892
Intermediate Similarity	0.745	NPC236014
Intermediate Similarity	0.745	NPC196765
Intermediate Similarity	0.745	NPC250727
Intermediate Similarity	0.745	NPC300875
Intermediate Similarity	0.745	NPC228369
Intermediate Similarity	0.745	NPC268917
Intermediate Similarity	0.745	NPC118683
Intermediate Similarity	0.745	NPC12875
Intermediate Similarity	0.745	NPC129106
Intermediate Similarity	0.745	NPC280653
Intermediate Similarity	0.745	NPC476166
Intermediate Similarity	0.745	NPC68205
Intermediate Similarity	0.745	NPC293203
Intermediate Similarity	0.745	NPC164804
Intermediate Similarity	0.745	NPC181497
Intermediate Similarity	0.745	NPC271945
Intermediate Similarity	0.745	NPC206224
Intermediate Similarity	0.745	NPC150011
Intermediate Similarity	0.745	NPC164574
Intermediate Similarity	0.745	NPC17343
Intermediate Similarity	0.745	NPC118114
Intermediate Similarity	0.7448	NPC140521
Intermediate Similarity	0.7448	NPC246648
Intermediate Similarity	0.7448	NPC106914
Intermediate Similarity	0.7448	NPC197351
Intermediate Similarity	0.7448	NPC86502
Intermediate Similarity	0.7448	NPC134195
Intermediate Similarity	0.744	NPC227683
Intermediate Similarity	0.7439	NPC80759
Intermediate Similarity	0.7439	NPC79402
Intermediate Similarity	0.7439	NPC469479
Intermediate Similarity	0.7436	NPC471824
Intermediate Similarity	0.7423	NPC221864
Intermediate Similarity	0.7419	NPC20631
Intermediate Similarity	0.7419	NPC93640
Intermediate Similarity	0.7417	NPC213173
Intermediate Similarity	0.7417	NPC184269
Intermediate Similarity	0.7417	NPC62366
Intermediate Similarity	0.7417	NPC180716
Intermediate Similarity	0.7417	NPC224475
Intermediate Similarity	0.7415	NPC224774
Intermediate Similarity	0.7415	NPC473993
Intermediate Similarity	0.7415	NPC258567
Intermediate Similarity	0.7415	NPC121740
Intermediate Similarity	0.7413	NPC131868
Intermediate Similarity	0.7407	NPC180756
Intermediate Similarity	0.7407	NPC323443
Intermediate Similarity	0.7403	NPC71903
Intermediate Similarity	0.7403	NPC204546
Intermediate Similarity	0.7403	NPC312881
Intermediate Similarity	0.74	NPC13005
Intermediate Similarity	0.74	NPC230219
Intermediate Similarity	0.7397	NPC285040
Intermediate Similarity	0.7397	NPC102540
Intermediate Similarity	0.7397	NPC103420
Intermediate Similarity	0.7397	NPC244495
Intermediate Similarity	0.7397	NPC249836
Intermediate Similarity	0.7397	NPC17809
Intermediate Similarity	0.7397	NPC93219
Intermediate Similarity	0.7397	NPC188022
Intermediate Similarity	0.7397	NPC471828
Intermediate Similarity	0.7397	NPC471827
Intermediate Similarity	0.7394	NPC1229
Intermediate Similarity	0.7391	NPC475557
Intermediate Similarity	0.7389	NPC469701
Intermediate Similarity	0.7389	NPC245974
Intermediate Similarity	0.7389	NPC132771
Intermediate Similarity	0.7389	NPC71739
Intermediate Similarity	0.7383	NPC27187
Intermediate Similarity	0.7383	NPC475102
Intermediate Similarity	0.7383	NPC470225
Intermediate Similarity	0.7379	NPC211218
Intermediate Similarity	0.7378	NPC4304
Intermediate Similarity	0.7376	NPC263754
Intermediate Similarity	0.7376	NPC183154
Intermediate Similarity	0.7372	NPC229916
Intermediate Similarity	0.7368	NPC472525
Intermediate Similarity	0.7368	NPC474325
Intermediate Similarity	0.7365	NPC472519
Intermediate Similarity	0.7365	NPC176590
Intermediate Similarity	0.7361	NPC251259
Intermediate Similarity	0.7361	NPC54972
Intermediate Similarity	0.7361	NPC193364
Intermediate Similarity	0.7358	NPC236166
Intermediate Similarity	0.7358	NPC103379
Intermediate Similarity	0.7358	NPC142863
Intermediate Similarity	0.7358	NPC66991
Intermediate Similarity	0.7358	NPC477879
Intermediate Similarity	0.7358	NPC477565
Intermediate Similarity	0.7355	NPC310370
Intermediate Similarity	0.7355	NPC170812
Intermediate Similarity	0.7355	NPC472523
Intermediate Similarity	0.7355	NPC183642
Intermediate Similarity	0.7351	NPC291551
Intermediate Similarity	0.7351	NPC1220
Intermediate Similarity	0.7351	NPC469965
Intermediate Similarity	0.7351	NPC77196
Intermediate Similarity	0.7351	NPC241165
Intermediate Similarity	0.7351	NPC142563
Intermediate Similarity	0.7351	NPC141822
Intermediate Similarity	0.7351	NPC205797
Intermediate Similarity	0.7351	NPC163557
Intermediate Similarity	0.7351	NPC185777
Intermediate Similarity	0.7346	NPC123323
Intermediate Similarity	0.7343	NPC193193
Intermediate Similarity	0.7343	NPC31314
Intermediate Similarity	0.7342	NPC471608
Intermediate Similarity	0.7338	NPC307883
Intermediate Similarity	0.7333	NPC267336
Intermediate Similarity	0.7333	NPC103799

Drug Structure

NPD6667 OpenBabel08211710072D 31 32 0 0 1 0 0 0 0 0999 V2000 -1.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 18 1 0 0 0 0 3 19 1 0 0 0 0 4 19 1 0 0 0 0 5 20 1 0 0 0 0 6 20 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 9 11 2 0 0 0 0 10 22 2 0 0 0 0 11 22 1 0 0 0 0 12 13 2 0 0 0 0 12 21 1 0 0 0 0 13 25 1 0 0 0 0 14 15 1 0 0 0 0 15 27 1 0 0 0 0 16 21 2 0 0 0 0 16 24 1 0 0 0 0 17 21 1 0 0 0 0 17 28 1 0 0 0 0 18 26 1 0 0 0 0 19 27 1 0 0 0 0 20 27 1 0 0 0 0 22 23 1 0 0 0 0 23 14 1 1 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 30 1 0 0 0 0 26 29 2 0 0 0 0 26 30 1 0 0 0 0 28 31 1 0 0 0 0 M END $$$$

External Identifiers

TTD	DNAP001676
DrugBank	DB06702
ChEMBL	CHEMBL1201764
IUPHAR/BPS	7473
PharmaGKB	PA165958376
KEGG Drug	D07226
PubChem CID	6918558
ChEBI	135920
CAS Number	286930-02-7

Drug Properties

Molecular Weight	411.28
ALogP	-0.0952
MLogP	3.88
XLogP	7.538
HDA	3
HBD	1
Rotatable Bonds	18
TPSA	49.77
RO5 Violation	2