Drug Information

Drug ID:  NPD5304
Drug Name:  Tolterodine
Molecular Formula:  C22H31NO
Canonical SMILES:  Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O
Standard InCHI:  InChI=1S/C22H31NO/c1-16(2)23(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)24/h6-12,15-17,20,24H,13-14H2,1-5H3/t20-/m1/s1
Standard InCHIKey:  OOGJQPCLVADCPB-HXUWFJFHSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD5304

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.


  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 0.8374 NPC307020
Intermediate Similarity 0.8288 NPC155847
Intermediate Similarity 0.8288 NPC289381
Intermediate Similarity 0.8268 NPC126859
Intermediate Similarity 0.8268 NPC89769
Intermediate Similarity 0.8268 NPC259665
Intermediate Similarity 0.8254 NPC66177
Intermediate Similarity 0.8254 NPC8305
Intermediate Similarity 0.8254 NPC268763
Intermediate Similarity 0.8246 NPC271274
Intermediate Similarity 0.8158 NPC138942
Intermediate Similarity 0.8142 NPC168829
Intermediate Similarity 0.8108 NPC77492
Intermediate Similarity 0.8091 NPC8392
Intermediate Similarity 0.807 NPC288411
Intermediate Similarity 0.8053 NPC51015
Intermediate Similarity 0.8047 NPC124802
Intermediate Similarity 0.8018 NPC473388
Intermediate Similarity 0.7966 NPC474149
Intermediate Similarity 0.7966 NPC296683
Intermediate Similarity 0.7965 NPC225506
Intermediate Similarity 0.7949 NPC24101
Intermediate Similarity 0.7949 NPC96224
Intermediate Similarity 0.7928 NPC26244
Intermediate Similarity 0.7903 NPC321133
Intermediate Similarity 0.7881 NPC58865
Intermediate Similarity 0.7876 NPC122005
Intermediate Similarity 0.7876 NPC252821
Intermediate Similarity 0.7869 NPC82963
Intermediate Similarity 0.7863 NPC151477
Intermediate Similarity 0.7857 NPC132271
Intermediate Similarity 0.7857 NPC216520
Intermediate Similarity 0.7857 NPC292730
Intermediate Similarity 0.7857 NPC82664
Intermediate Similarity 0.7851 NPC118202
Intermediate Similarity 0.7845 NPC99557
Intermediate Similarity 0.7845 NPC219286
Intermediate Similarity 0.7838 NPC128062
Intermediate Similarity 0.7838 NPC151715
Intermediate Similarity 0.7818 NPC204210
Intermediate Similarity 0.7815 NPC13482
Intermediate Similarity 0.7805 NPC311737
Intermediate Similarity 0.7805 NPC38458
Intermediate Similarity 0.7797 NPC262365
Intermediate Similarity 0.7797 NPC153690
Intermediate Similarity 0.7797 NPC63698
Intermediate Similarity 0.7797 NPC61885
Intermediate Similarity 0.7788 NPC225464
Intermediate Similarity 0.7787 NPC317254
Intermediate Similarity 0.7778 NPC231705
Intermediate Similarity 0.7769 NPC715
Intermediate Similarity 0.7768 NPC144682
Intermediate Similarity 0.775 NPC95716
Intermediate Similarity 0.7748 NPC271440
Intermediate Similarity 0.7731 NPC258056
Intermediate Similarity 0.7731 NPC292758
Intermediate Similarity 0.7731 NPC65855
Intermediate Similarity 0.7727 NPC149379
Intermediate Similarity 0.7719 NPC92730
Intermediate Similarity 0.7719 NPC128723
Intermediate Similarity 0.7712 NPC142297
Intermediate Similarity 0.7705 NPC195922
Intermediate Similarity 0.7692 NPC117115
Intermediate Similarity 0.7686 NPC46940
Intermediate Similarity 0.7686 NPC250323
Intermediate Similarity 0.7686 NPC228425
Intermediate Similarity 0.7679 NPC289769
Intermediate Similarity 0.7672 NPC178902
Intermediate Similarity 0.7667 NPC44732
Intermediate Similarity 0.7667 NPC141782
Intermediate Similarity 0.7658 NPC45040
Intermediate Similarity 0.7658 NPC304541
Intermediate Similarity 0.7652 NPC257390
Intermediate Similarity 0.7647 NPC476989
Intermediate Similarity 0.7647 NPC11554
Intermediate Similarity 0.7636 NPC242240
Intermediate Similarity 0.7636 NPC177420
Intermediate Similarity 0.7636 NPC280347
Intermediate Similarity 0.7636 NPC258219
Intermediate Similarity 0.7636 NPC123273
Intermediate Similarity 0.7636 NPC70436
Intermediate Similarity 0.7636 NPC318325
Intermediate Similarity 0.7627 NPC54765
Intermediate Similarity 0.7627 NPC21594
Intermediate Similarity 0.7623 NPC35344
Intermediate Similarity 0.7623 NPC141003
Intermediate Similarity 0.7615 NPC476353
Intermediate Similarity 0.7615 NPC305717
Intermediate Similarity 0.7603 NPC308689
Intermediate Similarity 0.7603 NPC4493
Intermediate Similarity 0.7603 NPC165770
Intermediate Similarity 0.7603 NPC225679
Intermediate Similarity 0.7603 NPC476632
Intermediate Similarity 0.7603 NPC151537
Intermediate Similarity 0.7603 NPC260323
Intermediate Similarity 0.7603 NPC176279
Intermediate Similarity 0.7589 NPC476151
Intermediate Similarity 0.7568 NPC55561
Intermediate Similarity 0.7565 NPC216468
Intermediate Similarity 0.7565 NPC132078
Intermediate Similarity 0.7565 NPC78119
Intermediate Similarity 0.7565 NPC51333
Intermediate Similarity 0.7565 NPC125732
Intermediate Similarity 0.7563 NPC228737
Intermediate Similarity 0.7561 NPC12656
Intermediate Similarity 0.7561 NPC107240
Intermediate Similarity 0.7545 NPC25493
Intermediate Similarity 0.7545 NPC113460
Intermediate Similarity 0.7542 NPC474839
Intermediate Similarity 0.7541 NPC43525
Intermediate Similarity 0.7541 NPC286222
Intermediate Similarity 0.7541 NPC228988
Intermediate Similarity 0.754 NPC283760
Intermediate Similarity 0.7522 NPC76938
Intermediate Similarity 0.7522 NPC316301
Intermediate Similarity 0.7522 NPC152415
Intermediate Similarity 0.7522 NPC27323
Intermediate Similarity 0.7518 NPC150712
Intermediate Similarity 0.7518 NPC211468
Intermediate Similarity 0.7518 NPC170170
Intermediate Similarity 0.7518 NPC219233
Intermediate Similarity 0.75 NPC95344
Intermediate Similarity 0.75 NPC306074
Intermediate Similarity 0.75 NPC213730
Intermediate Similarity 0.7483 NPC477565
Intermediate Similarity 0.7483 NPC103379
Intermediate Similarity 0.7481 NPC218323
Intermediate Similarity 0.748 NPC117846
Intermediate Similarity 0.7479 NPC248904
Intermediate Similarity 0.7478 NPC6597
Intermediate Similarity 0.7478 NPC79241
Intermediate Similarity 0.7464 NPC323123
Intermediate Similarity 0.746 NPC85276
Intermediate Similarity 0.7458 NPC119860
Intermediate Similarity 0.7458 NPC238696
Intermediate Similarity 0.7456 NPC32714
Intermediate Similarity 0.7456 NPC274678
Intermediate Similarity 0.7455 NPC407
Intermediate Similarity 0.7455 NPC307235
Intermediate Similarity 0.7455 NPC23167
Intermediate Similarity 0.7447 NPC185838
Intermediate Similarity 0.7445 NPC193528
Intermediate Similarity 0.7438 NPC254833
Intermediate Similarity 0.7438 NPC314187
Intermediate Similarity 0.7438 NPC228343
Intermediate Similarity 0.7436 NPC7686
Intermediate Similarity 0.7436 NPC91461
Intermediate Similarity 0.7436 NPC12221
Intermediate Similarity 0.7436 NPC40258
Intermediate Similarity 0.7424 NPC17374
Intermediate Similarity 0.7419 NPC473137
Intermediate Similarity 0.7419 NPC268160
Intermediate Similarity 0.7417 NPC320439
Intermediate Similarity 0.7407 NPC267237
Intermediate Similarity 0.7405 NPC318965
Intermediate Similarity 0.7402 NPC151197
Intermediate Similarity 0.7402 NPC268572
Intermediate Similarity 0.7402 NPC43275
Intermediate Similarity 0.7395 NPC303141
Intermediate Similarity 0.7395 NPC243677
Intermediate Similarity 0.7395 NPC154899
Intermediate Similarity 0.7395 NPC233396
Intermediate Similarity 0.7391 NPC312132
Intermediate Similarity 0.7391 NPC259512
Intermediate Similarity 0.7381 NPC477136
Intermediate Similarity 0.7381 NPC283468
Intermediate Similarity 0.7377 NPC132720
Intermediate Similarity 0.7376 NPC16188
Intermediate Similarity 0.7373 NPC108497
Intermediate Similarity 0.7373 NPC68055
Intermediate Similarity 0.7368 NPC283079
Intermediate Similarity 0.7364 NPC197783
Intermediate Similarity 0.7364 NPC474862
Intermediate Similarity 0.7364 NPC155393
Intermediate Similarity 0.736 NPC10286
Intermediate Similarity 0.736 NPC192948
Intermediate Similarity 0.736 NPC147179
Intermediate Similarity 0.736 NPC213
Intermediate Similarity 0.736 NPC35797
Intermediate Similarity 0.7355 NPC470039
Intermediate Similarity 0.7355 NPC201959
Intermediate Similarity 0.735 NPC29601
Intermediate Similarity 0.735 NPC228400
Intermediate Similarity 0.735 NPC214200
Intermediate Similarity 0.735 NPC211885
Intermediate Similarity 0.735 NPC72729
Intermediate Similarity 0.7345 NPC155908
Intermediate Similarity 0.7343 NPC191376
Intermediate Similarity 0.7343 NPC321505
Intermediate Similarity 0.7343 NPC179825
Intermediate Similarity 0.7339 NPC322239
Intermediate Similarity 0.7333 NPC135464
Intermediate Similarity 0.7333 NPC92623
Intermediate Similarity 0.7333 NPC113457
Intermediate Similarity 0.7328 NPC171372
Intermediate Similarity 0.7328 NPC156313
Intermediate Similarity 0.7328 NPC32674
Intermediate Similarity 0.7323 NPC122009
Intermediate Similarity 0.7321 NPC98772
Intermediate Similarity 0.7317 NPC77772

Drug Structure

External Identifiers

TTD   DAP000376
DrugBank   DB01036
ChEMBL   CHEMBL1382
IUPHAR/BPS   360
PharmaGKB   PA164746757
KEGG Drug   D00646
PubChem CID   443879
ChEBI   9622
CAS Number  124937-51-5

Drug Properties

Molecular Weight  325.24
ALogP  -0.108
MLogP  3.66
XLogP  7.806
HDA  1
HBD  1
Rotatable Bonds  13
TPSA  23.47
RO5 Violation  1