Drug Information

Drug ID:  NPD294
Drug Name:  Phentermine
Molecular Formula:  C10H15N
Canonical SMILES:  CC(Cc1ccccc1)(N)C
Standard InCHI:  InChI=1S/C10H15N/c1-10(2,11)8-9-6-4-3-5-7-9/h3-7H,8,11H2,1-2H3
Standard InCHIKey:  DHHVAGZRUROJKS-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD294

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 0.9143 NPC113000
High Similarity 0.9143 NPC122327
High Similarity 0.9143 NPC112609
High Similarity 0.9028 NPC290638
High Similarity 0.9014 NPC276699
High Similarity 0.8986 NPC229235
High Similarity 0.8767 NPC98269
High Similarity 0.8767 NPC325662
High Similarity 0.863 NPC139658
Intermediate Similarity 0.8194 NPC219246
Intermediate Similarity 0.8182 NPC212114
Intermediate Similarity 0.8182 NPC300345
Intermediate Similarity 0.8182 NPC120441
Intermediate Similarity 0.8182 NPC65873
Intermediate Similarity 0.8101 NPC119677
Intermediate Similarity 0.8088 NPC54368
Intermediate Similarity 0.8088 NPC248705
Intermediate Similarity 0.8088 NPC135924
Intermediate Similarity 0.8088 NPC210849
Intermediate Similarity 0.8088 NPC150196
Intermediate Similarity 0.803 NPC198841
Intermediate Similarity 0.803 NPC269586
Intermediate Similarity 0.7973 NPC244738
Intermediate Similarity 0.7971 NPC29680
Intermediate Similarity 0.7941 NPC147062
Intermediate Similarity 0.7922 NPC12857
Intermediate Similarity 0.7879 NPC149436
Intermediate Similarity 0.7879 NPC277704
Intermediate Similarity 0.7857 NPC88566
Intermediate Similarity 0.7857 NPC50266
Intermediate Similarity 0.7831 NPC30445
Intermediate Similarity 0.7826 NPC238023
Intermediate Similarity 0.7826 NPC310758
Intermediate Similarity 0.7826 NPC246588
Intermediate Similarity 0.7794 NPC64270
Intermediate Similarity 0.7794 NPC8235
Intermediate Similarity 0.7763 NPC98976
Intermediate Similarity 0.7746 NPC32312
Intermediate Similarity 0.7746 NPC155172
Intermediate Similarity 0.7746 NPC198023
Intermediate Similarity 0.7681 NPC169110
Intermediate Similarity 0.7662 NPC271642
Intermediate Similarity 0.7639 NPC178527
Intermediate Similarity 0.7625 NPC231986
Intermediate Similarity 0.7619 NPC111233
Intermediate Similarity 0.7606 NPC113670
Intermediate Similarity 0.7606 NPC45756
Intermediate Similarity 0.7568 NPC200936
Intermediate Similarity 0.7561 NPC169016
Intermediate Similarity 0.7536 NPC36357
Intermediate Similarity 0.7536 NPC114327
Intermediate Similarity 0.7534 NPC6107
Intermediate Similarity 0.7534 NPC267443
Intermediate Similarity 0.7529 NPC176858
Intermediate Similarity 0.7465 NPC71009
Intermediate Similarity 0.7465 NPC22786
Intermediate Similarity 0.7465 NPC66517
Intermediate Similarity 0.7442 NPC191444
Intermediate Similarity 0.7436 NPC110264
Intermediate Similarity 0.7403 NPC299134
Intermediate Similarity 0.7397 NPC289915
Intermediate Similarity 0.7397 NPC113837
Intermediate Similarity 0.7381 NPC258046
Intermediate Similarity 0.7361 NPC21211
Intermediate Similarity 0.7349 NPC133162
Intermediate Similarity 0.7333 NPC213570
Intermediate Similarity 0.7333 NPC139416
Intermediate Similarity 0.7333 NPC246822
Intermediate Similarity 0.7294 NPC262295
Intermediate Similarity 0.7294 NPC60408
Intermediate Similarity 0.726 NPC291066
Intermediate Similarity 0.7229 NPC104070
Intermediate Similarity 0.7229 NPC474088
Intermediate Similarity 0.7222 NPC200745
Intermediate Similarity 0.7191 NPC246757
Intermediate Similarity 0.7191 NPC291070
Intermediate Similarity 0.7143 NPC87099
Intermediate Similarity 0.7143 NPC280135
Intermediate Similarity 0.7143 NPC158028
Intermediate Similarity 0.7143 NPC135433
Intermediate Similarity 0.7143 NPC226999
Intermediate Similarity 0.7143 NPC193578
Intermediate Similarity 0.7143 NPC39799
Intermediate Similarity 0.7143 NPC1008
Intermediate Similarity 0.7126 NPC173991
Intermediate Similarity 0.7111 NPC329430
Intermediate Similarity 0.7105 NPC473206
Intermediate Similarity 0.7083 NPC45255
Intermediate Similarity 0.7079 NPC108800
Intermediate Similarity 0.7073 NPC192623
Intermediate Similarity 0.7067 NPC52330
Intermediate Similarity 0.7051 NPC54269
Intermediate Similarity 0.7051 NPC212463
Intermediate Similarity 0.7027 NPC264470
Intermediate Similarity 0.7013 NPC263385
Intermediate Similarity 0.7013 NPC251490
Intermediate Similarity 0.7013 NPC72670
Intermediate Similarity 0.7 NPC469330
Remote Similarity 0.6974 NPC311343
Remote Similarity 0.6974 NPC22760
Remote Similarity 0.6966 NPC470926
Remote Similarity 0.6944 NPC147578
Remote Similarity 0.6933 NPC36440
Remote Similarity 0.6923 NPC74458
Remote Similarity 0.6897 NPC473031
Remote Similarity 0.6883 NPC297358
Remote Similarity 0.6883 NPC98880
Remote Similarity 0.6882 NPC226096
Remote Similarity 0.6882 NPC290515
Remote Similarity 0.6882 NPC164514
Remote Similarity 0.6882 NPC303611
Remote Similarity 0.6882 NPC108606
Remote Similarity 0.6875 NPC189371
Remote Similarity 0.6875 NPC307195
Remote Similarity 0.6867 NPC309279
Remote Similarity 0.6854 NPC316108
Remote Similarity 0.6849 NPC200624
Remote Similarity 0.6835 NPC1901
Remote Similarity 0.6835 NPC285679
Remote Similarity 0.6818 NPC12429
Remote Similarity 0.6813 NPC7067
Remote Similarity 0.6795 NPC271732
Remote Similarity 0.6795 NPC95289
Remote Similarity 0.6782 NPC203076
Remote Similarity 0.6774 NPC122493
Remote Similarity 0.6774 NPC10781
Remote Similarity 0.6774 NPC293628
Remote Similarity 0.6753 NPC82770
Remote Similarity 0.6753 NPC239931
Remote Similarity 0.6753 NPC78954
Remote Similarity 0.675 NPC96835
Remote Similarity 0.675 NPC258492
Remote Similarity 0.6742 NPC470877
Remote Similarity 0.6739 NPC215351
Remote Similarity 0.6739 NPC20142
Remote Similarity 0.6709 NPC121708
Remote Similarity 0.6709 NPC326200
Remote Similarity 0.6709 NPC125144
Remote Similarity 0.6709 NPC208302
Remote Similarity 0.6707 NPC3190
Remote Similarity 0.6707 NPC298023
Remote Similarity 0.6707 NPC249018
Remote Similarity 0.6706 NPC14326
Remote Similarity 0.6705 NPC471638
Remote Similarity 0.6667 NPC471319
Remote Similarity 0.6667 NPC235059
Remote Similarity 0.6667 NPC121872
Remote Similarity 0.6667 NPC141139
Remote Similarity 0.6667 NPC475573
Remote Similarity 0.6667 NPC475289
Remote Similarity 0.6667 NPC169222
Remote Similarity 0.6667 NPC5324
Remote Similarity 0.6667 NPC159178
Remote Similarity 0.6667 NPC301874
Remote Similarity 0.6667 NPC78041
Remote Similarity 0.6667 NPC471307
Remote Similarity 0.6667 NPC16190
Remote Similarity 0.6667 NPC471320
Remote Similarity 0.6667 NPC78154
Remote Similarity 0.6667 NPC209764
Remote Similarity 0.6667 NPC74936
Remote Similarity 0.663 NPC322040
Remote Similarity 0.6627 NPC103488
Remote Similarity 0.6627 NPC224544
Remote Similarity 0.6625 NPC271437
Remote Similarity 0.6596 NPC324569
Remote Similarity 0.6593 NPC245259
Remote Similarity 0.6593 NPC226438
Remote Similarity 0.6585 NPC302129
Remote Similarity 0.6559 NPC161972
Remote Similarity 0.6559 NPC303045
Remote Similarity 0.6548 NPC159661
Remote Similarity 0.6543 NPC108218
Remote Similarity 0.6543 NPC208075
Remote Similarity 0.6531 NPC275467
Remote Similarity 0.6531 NPC226778
Remote Similarity 0.6531 NPC147000
Remote Similarity 0.6531 NPC304761
Remote Similarity 0.6531 NPC150254
Remote Similarity 0.6522 NPC473661
Remote Similarity 0.6515 NPC11150
Remote Similarity 0.6506 NPC9796
Remote Similarity 0.65 NPC155429
Remote Similarity 0.6495 NPC327226
Remote Similarity 0.6489 NPC25565
Remote Similarity 0.6477 NPC3210
Remote Similarity 0.6471 NPC157055
Remote Similarity 0.6471 NPC17408
Remote Similarity 0.6471 NPC328178
Remote Similarity 0.6471 NPC315216
Remote Similarity 0.6471 NPC285716
Remote Similarity 0.6471 NPC190567
Remote Similarity 0.6465 NPC67043
Remote Similarity 0.6458 NPC125732
Remote Similarity 0.6452 NPC471309
Remote Similarity 0.6452 NPC71140
Remote Similarity 0.6429 NPC2785
Remote Similarity 0.6429 NPC255345
Remote Similarity 0.6429 NPC245896
Remote Similarity 0.6429 NPC285470

Drug Structure

External Identifiers

TTD   DAP000719
DrugBank   DB00191
ChEMBL   CHEMBL1574
IUPHAR/BPS   7269
PharmaGKB   PA164748099
KEGG Drug   D05458
PubChem CID   4771
ChEBI   8080
CAS Number  122-09-8

Drug Properties

Molecular Weight  149.12
ALogP  0.1654
MLogP  2.45
XLogP  3.999
HDA  1
HBD  1
Rotatable Bonds  5
TPSA  26.02
RO5 Violation  0