Drug Information

Drug ID:  NPD3435
Drug Name:  darodipine
Molecular Formula:  C19H21N3O5
Canonical SMILES:  CCOC(=O)C1=C(C)NC(=C(C1c1cccc2c1non2)C(=O)OCC)C
Standard InCHI:  InChI=1S/C19H21N3O5/c1-5-25-18(23)14-10(3)20-11(4)15(19(24)26-6-2)16(14)12-8-7-9-13-17(12)22-27-21-13/h7-9,16,20H,5-6H2,1-4H3
Standard InCHIKey:  QERUYFVNIOLCHV-UHFFFAOYSA-N
Max Developmental Stage:  Discontinued
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD3435

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 0.8098 NPC190945
Intermediate Similarity 0.7529 NPC63370
Intermediate Similarity 0.7529 NPC36836
Intermediate Similarity 0.7435 NPC19692
Intermediate Similarity 0.7435 NPC220151
Intermediate Similarity 0.7216 NPC245916
Intermediate Similarity 0.7083 NPC63199
Intermediate Similarity 0.7083 NPC102338
Intermediate Similarity 0.7083 NPC111602
Intermediate Similarity 0.7083 NPC196251
Intermediate Similarity 0.7071 NPC128265
Intermediate Similarity 0.7071 NPC199851
Intermediate Similarity 0.7071 NPC254240
Intermediate Similarity 0.7071 NPC294909
Intermediate Similarity 0.7071 NPC312870
Remote Similarity 0.6908 NPC234078
Remote Similarity 0.6908 NPC221100
Remote Similarity 0.6897 NPC313345
Remote Similarity 0.6897 NPC314855
Remote Similarity 0.6897 NPC315638
Remote Similarity 0.6897 NPC313796
Remote Similarity 0.6869 NPC472293
Remote Similarity 0.6863 NPC314297
Remote Similarity 0.6863 NPC315545
Remote Similarity 0.685 NPC472297
Remote Similarity 0.685 NPC472296
Remote Similarity 0.6845 NPC314834
Remote Similarity 0.6814 NPC238457
Remote Similarity 0.6809 NPC191310
Remote Similarity 0.6804 NPC160381
Remote Similarity 0.6802 NPC472292
Remote Similarity 0.6802 NPC55493
Remote Similarity 0.6802 NPC472113
Remote Similarity 0.6789 NPC186669
Remote Similarity 0.6765 NPC314648
Remote Similarity 0.6765 NPC132539
Remote Similarity 0.6735 NPC175474
Remote Similarity 0.673 NPC312645
Remote Similarity 0.6721 NPC123241
Remote Similarity 0.6719 NPC469896
Remote Similarity 0.6714 NPC477979
Remote Similarity 0.6702 NPC234987
Remote Similarity 0.6701 NPC472112
Remote Similarity 0.6699 NPC474905
Remote Similarity 0.6698 NPC82070
Remote Similarity 0.6684 NPC469726
Remote Similarity 0.6684 NPC329338
Remote Similarity 0.6683 NPC269886
Remote Similarity 0.6683 NPC247735
Remote Similarity 0.6683 NPC472210
Remote Similarity 0.6683 NPC81802
Remote Similarity 0.6683 NPC472295
Remote Similarity 0.665 NPC474121
Remote Similarity 0.6649 NPC474058
Remote Similarity 0.6633 NPC66210
Remote Similarity 0.6622 NPC57453
Remote Similarity 0.6619 NPC118940
Remote Similarity 0.6617 NPC102592
Remote Similarity 0.6617 NPC79356
Remote Similarity 0.6615 NPC472119
Remote Similarity 0.6613 NPC293458
Remote Similarity 0.6595 NPC193410
Remote Similarity 0.6589 NPC52254
Remote Similarity 0.6588 NPC472291
Remote Similarity 0.6588 NPC89508
Remote Similarity 0.6584 NPC141454
Remote Similarity 0.658 NPC6974
Remote Similarity 0.6578 NPC8104
Remote Similarity 0.6562 NPC264482
Remote Similarity 0.6562 NPC203202
Remote Similarity 0.6561 NPC224970
Remote Similarity 0.6561 NPC167724
Remote Similarity 0.6561 NPC223595
Remote Similarity 0.6559 NPC248117
Remote Similarity 0.6553 NPC476115
Remote Similarity 0.6553 NPC165599
Remote Similarity 0.6552 NPC67288
Remote Similarity 0.6548 NPC90415
Remote Similarity 0.6544 NPC475271
Remote Similarity 0.6541 NPC61013
Remote Similarity 0.6533 NPC314333
Remote Similarity 0.6531 NPC97584
Remote Similarity 0.6531 NPC258480
Remote Similarity 0.6528 NPC14325
Remote Similarity 0.6528 NPC28848
Remote Similarity 0.6526 NPC476114
Remote Similarity 0.6522 NPC161827
Remote Similarity 0.652 NPC241024
Remote Similarity 0.6515 NPC472323
Remote Similarity 0.6514 NPC21638
Remote Similarity 0.6513 NPC113626
Remote Similarity 0.6508 NPC470509
Remote Similarity 0.6495 NPC219336
Remote Similarity 0.6495 NPC218594
Remote Similarity 0.6495 NPC99043
Remote Similarity 0.6488 NPC214428
Remote Similarity 0.6481 NPC472099
Remote Similarity 0.648 NPC143533
Remote Similarity 0.648 NPC243058
Remote Similarity 0.6477 NPC84347
Remote Similarity 0.6471 NPC52557
Remote Similarity 0.6465 NPC62749
Remote Similarity 0.6459 NPC244741
Remote Similarity 0.6458 NPC21752
Remote Similarity 0.6458 NPC181138
Remote Similarity 0.6458 NPC210415
Remote Similarity 0.6458 NPC276993
Remote Similarity 0.6458 NPC298851
Remote Similarity 0.6458 NPC293255
Remote Similarity 0.6449 NPC148183
Remote Similarity 0.6449 NPC152768
Remote Similarity 0.6445 NPC123839
Remote Similarity 0.6443 NPC183662
Remote Similarity 0.6443 NPC217372
Remote Similarity 0.6443 NPC15573
Remote Similarity 0.6429 NPC71037
Remote Similarity 0.6425 NPC474116
Remote Similarity 0.6425 NPC162730
Remote Similarity 0.6418 NPC472097
Remote Similarity 0.6417 NPC263709
Remote Similarity 0.6417 NPC243673
Remote Similarity 0.6417 NPC97380
Remote Similarity 0.6417 NPC148468
Remote Similarity 0.6417 NPC63210
Remote Similarity 0.6417 NPC310403
Remote Similarity 0.6414 NPC282103
Remote Similarity 0.6414 NPC79062
Remote Similarity 0.6414 NPC472107
Remote Similarity 0.6411 NPC277350
Remote Similarity 0.6408 NPC81654
Remote Similarity 0.6408 NPC195461
Remote Similarity 0.6408 NPC79129
Remote Similarity 0.6408 NPC249150
Remote Similarity 0.6408 NPC313985
Remote Similarity 0.6408 NPC49196
Remote Similarity 0.64 NPC221873
Remote Similarity 0.64 NPC61435
Remote Similarity 0.6398 NPC284102
Remote Similarity 0.6396 NPC159963
Remote Similarity 0.6378 NPC15840
Remote Similarity 0.6373 NPC472116
Remote Similarity 0.6368 NPC329858
Remote Similarity 0.6364 NPC203635
Remote Similarity 0.6364 NPC471742
Remote Similarity 0.6351 NPC266249
Remote Similarity 0.635 NPC14994
Remote Similarity 0.6337 NPC138370
Remote Similarity 0.6335 NPC472762
Remote Similarity 0.6332 NPC473189
Remote Similarity 0.6332 NPC280290
Remote Similarity 0.6327 NPC256268
Remote Similarity 0.6324 NPC202812
Remote Similarity 0.6311 NPC50503
Remote Similarity 0.6308 NPC151635
Remote Similarity 0.6308 NPC244856
Remote Similarity 0.6301 NPC280799
Remote Similarity 0.63 NPC311858
Remote Similarity 0.63 NPC235684
Remote Similarity 0.6298 NPC471944
Remote Similarity 0.6296 NPC36405
Remote Similarity 0.6294 NPC91179
Remote Similarity 0.6286 NPC185742
Remote Similarity 0.6286 NPC475847
Remote Similarity 0.6283 NPC52059
Remote Similarity 0.6283 NPC470069
Remote Similarity 0.6282 NPC473800
Remote Similarity 0.6279 NPC236424
Remote Similarity 0.6279 NPC306644
Remote Similarity 0.6277 NPC153694
Remote Similarity 0.6277 NPC211525
Remote Similarity 0.6276 NPC84827
Remote Similarity 0.6276 NPC219848
Remote Similarity 0.6276 NPC145885
Remote Similarity 0.6276 NPC14113
Remote Similarity 0.6263 NPC472121
Remote Similarity 0.6257 NPC473297
Remote Similarity 0.6256 NPC300156
Remote Similarity 0.6256 NPC25401
Remote Similarity 0.625 NPC274842
Remote Similarity 0.6244 NPC213468
Remote Similarity 0.6243 NPC36495
Remote Similarity 0.6239 NPC174788
Remote Similarity 0.6237 NPC6982
Remote Similarity 0.6233 NPC473493
Remote Similarity 0.6233 NPC264176
Remote Similarity 0.6232 NPC306376
Remote Similarity 0.6231 NPC472104
Remote Similarity 0.623 NPC271797
Remote Similarity 0.623 NPC21174
Remote Similarity 0.6227 NPC2395
Remote Similarity 0.6226 NPC4687
Remote Similarity 0.6224 NPC267885
Remote Similarity 0.6224 NPC56618
Remote Similarity 0.6223 NPC285469
Remote Similarity 0.6219 NPC194040
Remote Similarity 0.6218 NPC78020
Remote Similarity 0.6215 NPC475165
Remote Similarity 0.6209 NPC282578
Remote Similarity 0.6204 NPC31700
Remote Similarity 0.6202 NPC192674

Drug Structure

External Identifiers

TTD   DIB009943
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  371.15
ALogP  0.5445
MLogP  2.67
XLogP  3.666
HDA  5
HBD  1
Rotatable Bonds  11
TPSA  103.55
RO5 Violation  0