NPASS drugs

Drug Information

Drug ID:	NPD5667
Drug Name:	Propiverine
Molecular Formula:	C23H29NO3
Canonical SMILES:	CCCOC(c1ccccc1)(c1ccccc1)C(=O)OC1CCN(CC1)C
Standard InCHI:	InChI=1S/C23H29NO3/c1-3-18-26-23(19-10-6-4-7-11-19,20-12-8-5-9-13-20)22(25)27-21-14-16-24(2)17-15-21/h4-13,21H,3,14-18H2,1-2H3
Standard InCHIKey:	QPCVHQBVMYCJOM-UHFFFAOYSA-N
Max Developmental Stage:	Approved
Max Developmental Stage Source:	ChEMBL

Structural Similarity Between NPASS Natural Products and NPD5667

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	100
0.1-0.2	586
0.2-0.3	1717
0.3-0.4	4579
0.4-0.5	9680
0.5-0.6	12112
0.6-0.7	2031
0.7-0.8	82
0.8-0.85	3
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	0.8359	NPC65310
Intermediate Similarity	0.8189	NPC26285
Intermediate Similarity	0.8017	NPC158854
Intermediate Similarity	0.7852	NPC313663
Intermediate Similarity	0.7786	NPC285394
Intermediate Similarity	0.7769	NPC84281
Intermediate Similarity	0.7769	NPC169485
Intermediate Similarity	0.7769	NPC213126
Intermediate Similarity	0.7769	NPC317474
Intermediate Similarity	0.7769	NPC291027
Intermediate Similarity	0.7754	NPC281104
Intermediate Similarity	0.7581	NPC292758
Intermediate Similarity	0.7581	NPC65855
Intermediate Similarity	0.75	NPC316797
Intermediate Similarity	0.7463	NPC474847
Intermediate Similarity	0.7402	NPC128368
Intermediate Similarity	0.7398	NPC269457
Intermediate Similarity	0.7388	NPC471466
Intermediate Similarity	0.7372	NPC69496
Intermediate Similarity	0.7348	NPC473243
Intermediate Similarity	0.7279	NPC136453
Intermediate Similarity	0.7236	NPC160382
Intermediate Similarity	0.7226	NPC152850
Intermediate Similarity	0.7226	NPC105114
Intermediate Similarity	0.7226	NPC89923
Intermediate Similarity	0.7226	NPC239990
Intermediate Similarity	0.7226	NPC71933
Intermediate Similarity	0.7222	NPC469636
Intermediate Similarity	0.7214	NPC233910
Intermediate Similarity	0.7214	NPC245836
Intermediate Similarity	0.7213	NPC42211
Intermediate Similarity	0.7206	NPC57607
Intermediate Similarity	0.7188	NPC158282
Intermediate Similarity	0.7188	NPC79496
Intermediate Similarity	0.7172	NPC475128
Intermediate Similarity	0.7154	NPC474408
Intermediate Similarity	0.7131	NPC325497
Intermediate Similarity	0.7131	NPC118343
Intermediate Similarity	0.7122	NPC301857
Intermediate Similarity	0.7121	NPC45794
Intermediate Similarity	0.7121	NPC469574
Intermediate Similarity	0.7113	NPC273907
Intermediate Similarity	0.7113	NPC76785
Intermediate Similarity	0.7113	NPC9687
Intermediate Similarity	0.7113	NPC475598
Intermediate Similarity	0.7113	NPC293377
Intermediate Similarity	0.7113	NPC475318
Intermediate Similarity	0.7113	NPC260045
Intermediate Similarity	0.7113	NPC151706
Intermediate Similarity	0.7113	NPC118099
Intermediate Similarity	0.7113	NPC474787
Intermediate Similarity	0.7113	NPC49577
Intermediate Similarity	0.7113	NPC474855
Intermediate Similarity	0.7113	NPC79465
Intermediate Similarity	0.7113	NPC90194
Intermediate Similarity	0.7113	NPC474811
Intermediate Similarity	0.7113	NPC476102
Intermediate Similarity	0.7109	NPC474157
Intermediate Similarity	0.7109	NPC210089
Intermediate Similarity	0.7107	NPC270654
Intermediate Similarity	0.7097	NPC474365
Intermediate Similarity	0.7097	NPC301943
Intermediate Similarity	0.7094	NPC9822
Intermediate Similarity	0.7087	NPC265407
Intermediate Similarity	0.7087	NPC474364
Intermediate Similarity	0.7087	NPC83628
Intermediate Similarity	0.708	NPC295664
Intermediate Similarity	0.7077	NPC172525
Intermediate Similarity	0.7077	NPC307651
Intermediate Similarity	0.7077	NPC308744
Intermediate Similarity	0.7071	NPC157311
Intermediate Similarity	0.705	NPC81092
Intermediate Similarity	0.705	NPC103605
Intermediate Similarity	0.7049	NPC78701
Intermediate Similarity	0.7049	NPC35448
Intermediate Similarity	0.7031	NPC174099
Intermediate Similarity	0.7031	NPC24777
Intermediate Similarity	0.7027	NPC260194
Intermediate Similarity	0.7023	NPC221275
Intermediate Similarity	0.7021	NPC8761
Intermediate Similarity	0.7021	NPC44805
Intermediate Similarity	0.7014	NPC316906
Intermediate Similarity	0.7009	NPC304760
Intermediate Similarity	0.7007	NPC14141
Intermediate Similarity	0.7	NPC161611
Remote Similarity	0.6992	NPC146351
Remote Similarity	0.6986	NPC475651
Remote Similarity	0.6984	NPC167336
Remote Similarity	0.6981	NPC474858
Remote Similarity	0.698	NPC473541
Remote Similarity	0.6967	NPC276775
Remote Similarity	0.6967	NPC249912
Remote Similarity	0.6967	NPC92754
Remote Similarity	0.6957	NPC4974
Remote Similarity	0.6953	NPC10251
Remote Similarity	0.6953	NPC281604
Remote Similarity	0.6953	NPC17417
Remote Similarity	0.6949	NPC220893
Remote Similarity	0.6933	NPC94602
Remote Similarity	0.6933	NPC132771
Remote Similarity	0.6929	NPC472707
Remote Similarity	0.6929	NPC213969
Remote Similarity	0.6929	NPC165726
Remote Similarity	0.6923	NPC82899
Remote Similarity	0.6923	NPC89377
Remote Similarity	0.6923	NPC269340
Remote Similarity	0.6923	NPC270699
Remote Similarity	0.6912	NPC476184
Remote Similarity	0.6912	NPC316896
Remote Similarity	0.6912	NPC476281
Remote Similarity	0.6911	NPC210529
Remote Similarity	0.6911	NPC160548
Remote Similarity	0.6911	NPC225060
Remote Similarity	0.6911	NPC175852
Remote Similarity	0.6906	NPC476599
Remote Similarity	0.6905	NPC269644
Remote Similarity	0.6901	NPC475478
Remote Similarity	0.6901	NPC469519
Remote Similarity	0.6899	NPC251854
Remote Similarity	0.6899	NPC214067
Remote Similarity	0.6899	NPC196246
Remote Similarity	0.6899	NPC273837
Remote Similarity	0.6899	NPC93084
Remote Similarity	0.6894	NPC474095
Remote Similarity	0.6894	NPC210092
Remote Similarity	0.6875	NPC56493
Remote Similarity	0.6871	NPC475660
Remote Similarity	0.687	NPC265002
Remote Similarity	0.687	NPC474176
Remote Similarity	0.687	NPC272524
Remote Similarity	0.6861	NPC160493
Remote Similarity	0.6857	NPC473220
Remote Similarity	0.6857	NPC470753
Remote Similarity	0.6855	NPC472318
Remote Similarity	0.6855	NPC98911
Remote Similarity	0.6853	NPC475569
Remote Similarity	0.685	NPC209632
Remote Similarity	0.6846	NPC167504
Remote Similarity	0.6846	NPC476003
Remote Similarity	0.6846	NPC1082
Remote Similarity	0.6846	NPC305912
Remote Similarity	0.6842	NPC149691
Remote Similarity	0.6838	NPC321133
Remote Similarity	0.6838	NPC280827
Remote Similarity	0.6838	NPC243059
Remote Similarity	0.6838	NPC476183
Remote Similarity	0.6835	NPC472165
Remote Similarity	0.6835	NPC475780
Remote Similarity	0.6833	NPC119631
Remote Similarity	0.6831	NPC473247
Remote Similarity	0.6825	NPC234305
Remote Similarity	0.6818	NPC474363
Remote Similarity	0.6812	NPC476278
Remote Similarity	0.6806	NPC476644
Remote Similarity	0.6806	NPC266425
Remote Similarity	0.6803	NPC130398
Remote Similarity	0.68	NPC70624
Remote Similarity	0.68	NPC470231
Remote Similarity	0.6797	NPC474376
Remote Similarity	0.6797	NPC475203
Remote Similarity	0.6797	NPC119271
Remote Similarity	0.6797	NPC472316
Remote Similarity	0.6797	NPC472315
Remote Similarity	0.6794	NPC234376
Remote Similarity	0.6788	NPC50872
Remote Similarity	0.6786	NPC470765
Remote Similarity	0.6786	NPC124776
Remote Similarity	0.6786	NPC275576
Remote Similarity	0.6781	NPC477358
Remote Similarity	0.6779	NPC472546
Remote Similarity	0.6774	NPC322598
Remote Similarity	0.6772	NPC476750
Remote Similarity	0.6772	NPC114594
Remote Similarity	0.6772	NPC85977
Remote Similarity	0.6767	NPC474685
Remote Similarity	0.6763	NPC476241
Remote Similarity	0.6763	NPC476260
Remote Similarity	0.6763	NPC138798
Remote Similarity	0.6761	NPC217431
Remote Similarity	0.6759	NPC474608
Remote Similarity	0.6759	NPC472250
Remote Similarity	0.6759	NPC153617
Remote Similarity	0.6752	NPC476443
Remote Similarity	0.6752	NPC294134
Remote Similarity	0.6752	NPC133817
Remote Similarity	0.6752	NPC475710
Remote Similarity	0.6752	NPC58616
Remote Similarity	0.675	NPC213156
Remote Similarity	0.675	NPC240108
Remote Similarity	0.6744	NPC156648
Remote Similarity	0.6741	NPC228318
Remote Similarity	0.6738	NPC210950
Remote Similarity	0.6738	NPC114096
Remote Similarity	0.6738	NPC169913
Remote Similarity	0.6738	NPC199738
Remote Similarity	0.6736	NPC472394
Remote Similarity	0.6736	NPC469499
Remote Similarity	0.6736	NPC108553
Remote Similarity	0.6735	NPC225745
Remote Similarity	0.6735	NPC283375

Drug Structure

NPD5667 OpenBabel08211708292D 27 29 0 0 0 0 0 0 0 0999 V2000 2.8301 -4.0981 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 3.8301 -4.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9282 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8301 1.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9282 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8301 1.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8301 -0.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 0.2321 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 1.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -1.0000 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 4.3301 -3.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8301 -0.6340 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 3.4641 -1.0000 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 0.0000 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8301 -2.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 2 24 1 0 0 0 0 3 18 1 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 5 8 2 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 7 11 2 0 0 0 0 8 12 1 0 0 0 0 9 13 2 0 0 0 0 10 19 2 0 0 0 0 11 19 1 0 0 0 0 12 20 2 0 0 0 0 13 20 1 0 0 0 0 14 16 1 0 0 0 0 14 21 1 0 0 0 0 15 17 1 0 0 0 0 15 21 1 0 0 0 0 16 24 1 0 0 0 0 17 24 1 0 0 0 0 18 26 1 0 0 0 0 19 23 1 0 0 0 0 20 23 1 0 0 0 0 21 27 1 0 0 0 0 22 23 1 0 0 0 0 22 25 2 0 0 0 0 22 27 1 0 0 0 0 23 26 1 0 0 0 0 M END $$$$

External Identifiers

TTD	DIB015040
DrugBank
ChEMBL
IUPHAR/BPS
PharmaGKB
KEGG Drug
PubChem CID
ChEBI
CAS Number

Drug Properties

Molecular Weight	367.21
ALogP	-1.2429
MLogP	3.55
XLogP	6.506
HDA	4
HBD	0
Rotatable Bonds	10
TPSA	38.77
RO5 Violation	1