Drug Information

Drug ID:  NPD590
Drug Name:  Mephentermine
Molecular Formula:  C11H17N
Canonical SMILES:  CNC(Cc1ccccc1)(C)C
Standard InCHI:  InChI=1S/C11H17N/c1-11(2,12-3)9-10-7-5-4-6-8-10/h4-8,12H,9H2,1-3H3
Standard InCHIKey:  RXQCGGRTAILOIN-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD590

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
High Similarity 0.9324 NPC139658
High Similarity 0.88 NPC122327
High Similarity 0.88 NPC112609
High Similarity 0.88 NPC113000
High Similarity 0.8701 NPC290638
High Similarity 0.8684 NPC276699
High Similarity 0.8649 NPC229235
High Similarity 0.859 NPC12857
Intermediate Similarity 0.8462 NPC325662
Intermediate Similarity 0.8462 NPC98269
Intermediate Similarity 0.8415 NPC169016
Intermediate Similarity 0.8193 NPC133162
Intermediate Similarity 0.8101 NPC271642
Intermediate Similarity 0.8072 NPC119677
Intermediate Similarity 0.8049 NPC231986
Intermediate Similarity 0.8 NPC258046
Intermediate Similarity 0.7975 NPC98976
Intermediate Similarity 0.7922 NPC219246
Intermediate Similarity 0.7889 NPC329430
Intermediate Similarity 0.7722 NPC244738
Intermediate Similarity 0.7582 NPC469330
Intermediate Similarity 0.7568 NPC210849
Intermediate Similarity 0.7442 NPC104070
Intermediate Similarity 0.7442 NPC474088
Intermediate Similarity 0.7419 NPC471320
Intermediate Similarity 0.7419 NPC471319
Intermediate Similarity 0.7397 NPC65873
Intermediate Similarity 0.7397 NPC300345
Intermediate Similarity 0.7397 NPC120441
Intermediate Similarity 0.7397 NPC212114
Intermediate Similarity 0.7391 NPC7067
Intermediate Similarity 0.7363 NPC470926
Intermediate Similarity 0.7333 NPC248705
Intermediate Similarity 0.7333 NPC150196
Intermediate Similarity 0.7333 NPC54368
Intermediate Similarity 0.7333 NPC135924
Intermediate Similarity 0.7303 NPC60408
Intermediate Similarity 0.7273 NPC32312
Intermediate Similarity 0.7273 NPC198023
Intermediate Similarity 0.7273 NPC155172
Intermediate Similarity 0.726 NPC269586
Intermediate Similarity 0.726 NPC198841
Intermediate Similarity 0.7237 NPC29680
Intermediate Similarity 0.7222 NPC30445
Intermediate Similarity 0.72 NPC147062
Intermediate Similarity 0.7195 NPC299134
Intermediate Similarity 0.7179 NPC178527
Intermediate Similarity 0.7143 NPC45756
Intermediate Similarity 0.7143 NPC50266
Intermediate Similarity 0.7143 NPC88566
Intermediate Similarity 0.7128 NPC108339
Intermediate Similarity 0.7123 NPC277704
Intermediate Similarity 0.7123 NPC149436
Intermediate Similarity 0.7105 NPC246588
Intermediate Similarity 0.7105 NPC238023
Intermediate Similarity 0.7105 NPC310758
Intermediate Similarity 0.7071 NPC304761
Intermediate Similarity 0.7071 NPC150254
Intermediate Similarity 0.7071 NPC226778
Intermediate Similarity 0.7071 NPC147000
Intermediate Similarity 0.7067 NPC64270
Intermediate Similarity 0.7067 NPC8235
Intermediate Similarity 0.7041 NPC327226
Intermediate Similarity 0.7033 NPC111233
Intermediate Similarity 0.7021 NPC246757
Intermediate Similarity 0.7021 NPC291070
Intermediate Similarity 0.7013 NPC22786
Intermediate Similarity 0.7 NPC67043
Remote Similarity 0.6974 NPC169110
Remote Similarity 0.6957 NPC176858
Remote Similarity 0.6923 NPC113670
Remote Similarity 0.6923 NPC473031
Remote Similarity 0.6915 NPC473661
Remote Similarity 0.6914 NPC200936
Remote Similarity 0.69 NPC275467
Remote Similarity 0.6882 NPC191444
Remote Similarity 0.6875 NPC6107
Remote Similarity 0.6875 NPC267443
Remote Similarity 0.6854 NPC134825
Remote Similarity 0.6848 NPC12429
Remote Similarity 0.6842 NPC36357
Remote Similarity 0.6842 NPC114327
Remote Similarity 0.6842 NPC322040
Remote Similarity 0.6824 NPC110264
Remote Similarity 0.6813 NPC203076
Remote Similarity 0.6795 NPC66517
Remote Similarity 0.6795 NPC71009
Remote Similarity 0.6774 NPC470877
Remote Similarity 0.675 NPC113837
Remote Similarity 0.675 NPC289915
Remote Similarity 0.6742 NPC14326
Remote Similarity 0.6739 NPC305602
Remote Similarity 0.6739 NPC471638
Remote Similarity 0.6739 NPC17497
Remote Similarity 0.6739 NPC262295
Remote Similarity 0.6735 NPC290515
Remote Similarity 0.6735 NPC303611
Remote Similarity 0.6735 NPC108606
Remote Similarity 0.6735 NPC322598
Remote Similarity 0.6735 NPC164514
Remote Similarity 0.6735 NPC226096
Remote Similarity 0.6731 NPC24777
Remote Similarity 0.6729 NPC113099
Remote Similarity 0.6709 NPC21211
Remote Similarity 0.6707 NPC213570
Remote Similarity 0.6707 NPC139416
Remote Similarity 0.6707 NPC246822
Remote Similarity 0.6705 NPC475573
Remote Similarity 0.6705 NPC475289
Remote Similarity 0.6702 NPC316108
Remote Similarity 0.6702 NPC74936
Remote Similarity 0.6702 NPC141139
Remote Similarity 0.6702 NPC471307
Remote Similarity 0.6702 NPC121872
Remote Similarity 0.6702 NPC209764
Remote Similarity 0.6702 NPC78041
Remote Similarity 0.6702 NPC159178
Remote Similarity 0.67 NPC239854
Remote Similarity 0.6667 NPC71140
Remote Similarity 0.6667 NPC54269
Remote Similarity 0.6635 NPC77294
Remote Similarity 0.6633 NPC122493
Remote Similarity 0.6633 NPC10781
Remote Similarity 0.6633 NPC293628
Remote Similarity 0.6632 NPC245259
Remote Similarity 0.6625 NPC291066
Remote Similarity 0.6602 NPC327481
Remote Similarity 0.6602 NPC473498
Remote Similarity 0.66 NPC228400
Remote Similarity 0.66 NPC214200
Remote Similarity 0.66 NPC474582
Remote Similarity 0.6598 NPC161972
Remote Similarity 0.6598 NPC303045
Remote Similarity 0.6598 NPC215351
Remote Similarity 0.6598 NPC20142
Remote Similarity 0.6596 NPC173991
Remote Similarity 0.6585 NPC22760
Remote Similarity 0.6582 NPC200745
Remote Similarity 0.6562 NPC108800
Remote Similarity 0.6548 NPC280135
Remote Similarity 0.6548 NPC193578
Remote Similarity 0.6548 NPC135433
Remote Similarity 0.6548 NPC226999
Remote Similarity 0.6548 NPC1008
Remote Similarity 0.6548 NPC87099
Remote Similarity 0.6548 NPC158028
Remote Similarity 0.6548 NPC39799
Remote Similarity 0.6531 NPC25565
Remote Similarity 0.6522 NPC3210
Remote Similarity 0.6517 NPC192623
Remote Similarity 0.6506 NPC473206
Remote Similarity 0.6506 NPC297358
Remote Similarity 0.6505 NPC474695
Remote Similarity 0.6495 NPC471309
Remote Similarity 0.6486 NPC320656
Remote Similarity 0.6471 NPC212463
Remote Similarity 0.6465 NPC324569
Remote Similarity 0.6465 NPC472258
Remote Similarity 0.6465 NPC473501
Remote Similarity 0.6465 NPC475439
Remote Similarity 0.6463 NPC52330
Remote Similarity 0.6458 NPC226438
Remote Similarity 0.6456 NPC45255
Remote Similarity 0.6455 NPC313673
Remote Similarity 0.6449 NPC275410
Remote Similarity 0.6429 NPC72670
Remote Similarity 0.6429 NPC58674
Remote Similarity 0.6429 NPC251490
Remote Similarity 0.6429 NPC263385
Remote Similarity 0.642 NPC264470
Remote Similarity 0.6386 NPC311343
Remote Similarity 0.6373 NPC291610
Remote Similarity 0.6364 NPC101139
Remote Similarity 0.6364 NPC249018
Remote Similarity 0.6364 NPC3190
Remote Similarity 0.6354 NPC78154
Remote Similarity 0.6353 NPC74458
Remote Similarity 0.6353 NPC121708
Remote Similarity 0.6353 NPC125144
Remote Similarity 0.6346 NPC167336
Remote Similarity 0.6346 NPC473418
Remote Similarity 0.6341 NPC36440
Remote Similarity 0.6337 NPC125732
Remote Similarity 0.6333 NPC309279
Remote Similarity 0.6329 NPC147578
Remote Similarity 0.6327 NPC474974
Remote Similarity 0.6322 NPC307195
Remote Similarity 0.6322 NPC189371
Remote Similarity 0.6321 NPC302790
Remote Similarity 0.6311 NPC164859
Remote Similarity 0.631 NPC98880
Remote Similarity 0.63 NPC311242
Remote Similarity 0.6292 NPC103488
Remote Similarity 0.6279 NPC1901
Remote Similarity 0.6279 NPC285679
Remote Similarity 0.6275 NPC289381
Remote Similarity 0.6275 NPC155847
Remote Similarity 0.6263 NPC256452
Remote Similarity 0.625 NPC35599
Remote Similarity 0.625 NPC200624

Drug Structure

External Identifiers

TTD   DAP000898
DrugBank   DB01365
ChEMBL   CHEMBL1201234
IUPHAR/BPS   7222
PharmaGKB   PA164745533
KEGG Drug  
PubChem CID   3677
ChEBI   6755
CAS Number  100-92-5

Drug Properties

Molecular Weight  163.14
ALogP  0.5972
MLogP  2.56
XLogP  4.389
HDA  1
HBD  1
Rotatable Bonds  6
TPSA  12.03
RO5 Violation  0