Drug Information

Drug ID:  NPD5890
Drug Name:  Flavoxate
Molecular Formula:  C24H25NO4
Canonical SMILES:  O=C(c1cccc2c1oc(c1ccccc1)c(c2=O)C)OCCN1CCCCC1
Standard InCHI:  InChI=1S/C24H25NO4/c1-17-21(26)19-11-8-12-20(23(19)29-22(17)18-9-4-2-5-10-18)24(27)28-16-15-25-13-6-3-7-14-25/h2,4-5,8-12H,3,6-7,13-16H2,1H3
Standard InCHIKey:  SPIUTQOUKAMGCX-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD5890

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 0.8353 NPC469437
Intermediate Similarity 0.8263 NPC309692
Intermediate Similarity 0.8121 NPC287533
Intermediate Similarity 0.8023 NPC83019
Intermediate Similarity 0.7966 NPC204580
Intermediate Similarity 0.7917 NPC129578
Intermediate Similarity 0.7862 NPC218300
Intermediate Similarity 0.7862 NPC282335
Intermediate Similarity 0.7838 NPC293387
Intermediate Similarity 0.7821 NPC472409
Intermediate Similarity 0.7785 NPC59522
Intermediate Similarity 0.7771 NPC52576
Intermediate Similarity 0.7771 NPC22467
Intermediate Similarity 0.7764 NPC164205
Intermediate Similarity 0.7764 NPC164299
Intermediate Similarity 0.7764 NPC19238
Intermediate Similarity 0.7764 NPC104236
Intermediate Similarity 0.7756 NPC11566
Intermediate Similarity 0.7756 NPC136095
Intermediate Similarity 0.7756 NPC473209
Intermediate Similarity 0.7742 NPC253616
Intermediate Similarity 0.7742 NPC259685
Intermediate Similarity 0.7736 NPC469953
Intermediate Similarity 0.7733 NPC327005
Intermediate Similarity 0.7692 NPC17848
Intermediate Similarity 0.7677 NPC254741
Intermediate Similarity 0.7677 NPC268081
Intermediate Similarity 0.7677 NPC161196
Intermediate Similarity 0.7671 NPC314329
Intermediate Similarity 0.7667 NPC125887
Intermediate Similarity 0.7662 NPC125269
Intermediate Similarity 0.7658 NPC201820
Intermediate Similarity 0.7654 NPC264938
Intermediate Similarity 0.764 NPC140120
Intermediate Similarity 0.764 NPC180477
Intermediate Similarity 0.764 NPC23728
Intermediate Similarity 0.764 NPC110303
Intermediate Similarity 0.7628 NPC103001
Intermediate Similarity 0.7628 NPC38153
Intermediate Similarity 0.7628 NPC157855
Intermediate Similarity 0.7625 NPC179970
Intermediate Similarity 0.7625 NPC171656
Intermediate Similarity 0.7622 NPC314946
Intermediate Similarity 0.7616 NPC238309
Intermediate Similarity 0.7613 NPC99854
Intermediate Similarity 0.761 NPC147145
Intermediate Similarity 0.761 NPC36181
Intermediate Similarity 0.7593 NPC132592
Intermediate Similarity 0.7593 NPC160821
Intermediate Similarity 0.7586 NPC54243
Intermediate Similarity 0.7586 NPC35744
Intermediate Similarity 0.758 NPC473988
Intermediate Similarity 0.758 NPC36414
Intermediate Similarity 0.7578 NPC142405
Intermediate Similarity 0.7578 NPC214774
Intermediate Similarity 0.7578 NPC215885
Intermediate Similarity 0.7578 NPC312973
Intermediate Similarity 0.7578 NPC476153
Intermediate Similarity 0.7578 NPC88964
Intermediate Similarity 0.7578 NPC20488
Intermediate Similarity 0.7578 NPC470322
Intermediate Similarity 0.7578 NPC2416
Intermediate Similarity 0.7578 NPC267375
Intermediate Similarity 0.7578 NPC301276
Intermediate Similarity 0.7578 NPC111786
Intermediate Similarity 0.7578 NPC57470
Intermediate Similarity 0.7578 NPC246948
Intermediate Similarity 0.7578 NPC54577
Intermediate Similarity 0.7578 NPC67805
Intermediate Similarity 0.7578 NPC470647
Intermediate Similarity 0.7578 NPC176229
Intermediate Similarity 0.7578 NPC83357
Intermediate Similarity 0.7578 NPC475052
Intermediate Similarity 0.7578 NPC195621
Intermediate Similarity 0.7576 NPC476443
Intermediate Similarity 0.7576 NPC133817
Intermediate Similarity 0.7566 NPC282230
Intermediate Similarity 0.7566 NPC183348
Intermediate Similarity 0.7566 NPC228184
Intermediate Similarity 0.7566 NPC2989
Intermediate Similarity 0.7562 NPC310130
Intermediate Similarity 0.7562 NPC143896
Intermediate Similarity 0.7562 NPC75049
Intermediate Similarity 0.7562 NPC149026
Intermediate Similarity 0.7562 NPC39329
Intermediate Similarity 0.7562 NPC87609
Intermediate Similarity 0.7562 NPC169591
Intermediate Similarity 0.7562 NPC257097
Intermediate Similarity 0.7562 NPC221432
Intermediate Similarity 0.7562 NPC196459
Intermediate Similarity 0.7562 NPC150408
Intermediate Similarity 0.7562 NPC38219
Intermediate Similarity 0.7562 NPC175504
Intermediate Similarity 0.7562 NPC68104
Intermediate Similarity 0.7562 NPC112791
Intermediate Similarity 0.7562 NPC94794
Intermediate Similarity 0.7562 NPC164980
Intermediate Similarity 0.7562 NPC470296
Intermediate Similarity 0.7562 NPC91560
Intermediate Similarity 0.7562 NPC188632
Intermediate Similarity 0.7561 NPC312549
Intermediate Similarity 0.7561 NPC209142
Intermediate Similarity 0.7548 NPC66705
Intermediate Similarity 0.7547 NPC24075
Intermediate Similarity 0.7547 NPC248372
Intermediate Similarity 0.7547 NPC110038
Intermediate Similarity 0.7547 NPC3188
Intermediate Similarity 0.7547 NPC103362
Intermediate Similarity 0.7547 NPC110969
Intermediate Similarity 0.7546 NPC214493
Intermediate Similarity 0.7534 NPC230951
Intermediate Similarity 0.7533 NPC237868
Intermediate Similarity 0.7532 NPC473655
Intermediate Similarity 0.7532 NPC472515
Intermediate Similarity 0.7532 NPC53181
Intermediate Similarity 0.7532 NPC217186
Intermediate Similarity 0.7532 NPC101294
Intermediate Similarity 0.7531 NPC296998
Intermediate Similarity 0.7531 NPC237635
Intermediate Similarity 0.7531 NPC79469
Intermediate Similarity 0.7531 NPC249942
Intermediate Similarity 0.7531 NPC97716
Intermediate Similarity 0.7531 NPC24673
Intermediate Similarity 0.7531 NPC297886
Intermediate Similarity 0.7531 NPC201731
Intermediate Similarity 0.7531 NPC283234
Intermediate Similarity 0.7531 NPC473077
Intermediate Similarity 0.7531 NPC104406
Intermediate Similarity 0.7517 NPC32298
Intermediate Similarity 0.7516 NPC196137
Intermediate Similarity 0.7516 NPC271590
Intermediate Similarity 0.7516 NPC209040
Intermediate Similarity 0.7516 NPC1886
Intermediate Similarity 0.7516 NPC470977
Intermediate Similarity 0.7516 NPC178627
Intermediate Similarity 0.7516 NPC196979
Intermediate Similarity 0.7516 NPC473013
Intermediate Similarity 0.7516 NPC15083
Intermediate Similarity 0.7516 NPC197252
Intermediate Similarity 0.7516 NPC470976
Intermediate Similarity 0.7516 NPC110776
Intermediate Similarity 0.7516 NPC469935
Intermediate Similarity 0.7516 NPC294365
Intermediate Similarity 0.7516 NPC319752
Intermediate Similarity 0.7516 NPC236766
Intermediate Similarity 0.7516 NPC473015
Intermediate Similarity 0.75 NPC324436
Intermediate Similarity 0.75 NPC107572
Intermediate Similarity 0.75 NPC37496
Intermediate Similarity 0.75 NPC265040
Intermediate Similarity 0.75 NPC227579
Intermediate Similarity 0.75 NPC182852
Intermediate Similarity 0.75 NPC474735
Intermediate Similarity 0.75 NPC125855
Intermediate Similarity 0.75 NPC64915
Intermediate Similarity 0.75 NPC306829
Intermediate Similarity 0.75 NPC473019
Intermediate Similarity 0.75 NPC66246
Intermediate Similarity 0.75 NPC226636
Intermediate Similarity 0.75 NPC40833
Intermediate Similarity 0.75 NPC32739
Intermediate Similarity 0.75 NPC166482
Intermediate Similarity 0.75 NPC228504
Intermediate Similarity 0.75 NPC66515
Intermediate Similarity 0.75 NPC170546
Intermediate Similarity 0.75 NPC76372
Intermediate Similarity 0.75 NPC46869
Intermediate Similarity 0.75 NPC76338
Intermediate Similarity 0.75 NPC148757
Intermediate Similarity 0.75 NPC220998
Intermediate Similarity 0.75 NPC324134
Intermediate Similarity 0.75 NPC227683
Intermediate Similarity 0.75 NPC194432
Intermediate Similarity 0.75 NPC1089
Intermediate Similarity 0.75 NPC167624
Intermediate Similarity 0.75 NPC161506
Intermediate Similarity 0.75 NPC177354
Intermediate Similarity 0.75 NPC296917
Intermediate Similarity 0.75 NPC78
Intermediate Similarity 0.75 NPC328164
Intermediate Similarity 0.75 NPC266725
Intermediate Similarity 0.75 NPC11561
Intermediate Similarity 0.75 NPC151973
Intermediate Similarity 0.75 NPC10937
Intermediate Similarity 0.75 NPC223500
Intermediate Similarity 0.75 NPC166934
Intermediate Similarity 0.7485 NPC266572
Intermediate Similarity 0.7485 NPC469933
Intermediate Similarity 0.7485 NPC208303
Intermediate Similarity 0.7485 NPC161864
Intermediate Similarity 0.7485 NPC161191
Intermediate Similarity 0.7485 NPC6511
Intermediate Similarity 0.7484 NPC172986
Intermediate Similarity 0.7484 NPC159275
Intermediate Similarity 0.7484 NPC307990
Intermediate Similarity 0.7484 NPC261227
Intermediate Similarity 0.7484 NPC150522
Intermediate Similarity 0.7484 NPC223354
Intermediate Similarity 0.7484 NPC69769
Intermediate Similarity 0.7484 NPC270883

Drug Structure

External Identifiers

TTD   DAP001114
DrugBank   DB01148
ChEMBL   CHEMBL1493
IUPHAR/BPS   7187
PharmaGKB   PA164781386
KEGG Drug  
PubChem CID   3354
ChEBI   5088
CAS Number  15301-69-6

Drug Properties

Molecular Weight  391.18
ALogP  -0.846
MLogP  3.55
XLogP  6.31
HDA  4
HBD  0
Rotatable Bonds  7
TPSA  55.84
RO5 Violation  1