Drug Information

Drug ID:  NPD9393
Drug Name:  Phenelzine Sulfate
Molecular Formula:  C8H12N2.H2O4S
Canonical SMILES:  OS(=O)(=O)O.NNCCc1ccccc1
Standard InCHI:  InChI=1S/C8H12N2.H2O4S/c9-10-7-6-8-4-2-1-3-5-8;1-5(2,3)4/h1-5,10H,6-7,9H2;(H2,1,2,3,4)
Standard InCHIKey:  RXBKMJIPNDOHFR-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD9393

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 0.9028 NPC229235
High Similarity 0.8667 NPC113000
High Similarity 0.8667 NPC112609
High Similarity 0.8667 NPC122327
High Similarity 0.8553 NPC276699
Intermediate Similarity 0.8442 NPC139658
Intermediate Similarity 0.8333 NPC98269
Intermediate Similarity 0.8333 NPC325662
Intermediate Similarity 0.8333 NPC290638
Intermediate Similarity 0.8267 NPC219246
Intermediate Similarity 0.7952 NPC119677
Intermediate Similarity 0.7821 NPC244738
Intermediate Similarity 0.7778 NPC12857
Intermediate Similarity 0.7647 NPC169016
Intermediate Similarity 0.7471 NPC258046
Intermediate Similarity 0.7407 NPC98976
Intermediate Similarity 0.7361 NPC198841
Intermediate Similarity 0.7317 NPC271642
Intermediate Similarity 0.7284 NPC299134
Intermediate Similarity 0.726 NPC65873
Intermediate Similarity 0.726 NPC300345
Intermediate Similarity 0.726 NPC212114
Intermediate Similarity 0.726 NPC120441
Intermediate Similarity 0.7237 NPC50266
Intermediate Similarity 0.7222 NPC149436
Intermediate Similarity 0.7123 NPC269586
Intermediate Similarity 0.7097 NPC7067
Intermediate Similarity 0.7045 NPC133162
Intermediate Similarity 0.7 NPC60408
Remote Similarity 0.6986 NPC277704
Remote Similarity 0.6974 NPC248705
Remote Similarity 0.6974 NPC210849
Remote Similarity 0.6974 NPC150196
Remote Similarity 0.6974 NPC135924
Remote Similarity 0.6974 NPC238023
Remote Similarity 0.6974 NPC310758
Remote Similarity 0.6974 NPC246588
Remote Similarity 0.6974 NPC54368
Remote Similarity 0.6933 NPC8235
Remote Similarity 0.6933 NPC36357
Remote Similarity 0.6933 NPC114327
Remote Similarity 0.6932 NPC474088
Remote Similarity 0.6932 NPC104070
Remote Similarity 0.6915 NPC469330
Remote Similarity 0.6915 NPC291070
Remote Similarity 0.6915 NPC246757
Remote Similarity 0.6897 NPC231986
Remote Similarity 0.6883 NPC29680
Remote Similarity 0.6883 NPC71009
Remote Similarity 0.6883 NPC22786
Remote Similarity 0.6883 NPC66517
Remote Similarity 0.6842 NPC215351
Remote Similarity 0.6842 NPC329430
Remote Similarity 0.6842 NPC169110
Remote Similarity 0.6842 NPC20142
Remote Similarity 0.6842 NPC147062
Remote Similarity 0.6813 NPC471638
Remote Similarity 0.6795 NPC21211
Remote Similarity 0.6795 NPC88566
Remote Similarity 0.6795 NPC113670
Remote Similarity 0.679 NPC200936
Remote Similarity 0.6774 NPC191444
Remote Similarity 0.6771 NPC471319
Remote Similarity 0.6771 NPC471320
Remote Similarity 0.6739 NPC30445
Remote Similarity 0.6737 NPC322040
Remote Similarity 0.6711 NPC64270
Remote Similarity 0.6709 NPC32312
Remote Similarity 0.6709 NPC198023
Remote Similarity 0.6709 NPC291066
Remote Similarity 0.6709 NPC155172
Remote Similarity 0.6703 NPC203076
Remote Similarity 0.6701 NPC10781
Remote Similarity 0.6701 NPC293628
Remote Similarity 0.6701 NPC122493
Remote Similarity 0.6667 NPC108339
Remote Similarity 0.6667 NPC176858
Remote Similarity 0.6667 NPC200745
Remote Similarity 0.6635 NPC172046
Remote Similarity 0.6633 NPC290515
Remote Similarity 0.6633 NPC108606
Remote Similarity 0.6633 NPC226096
Remote Similarity 0.6633 NPC303611
Remote Similarity 0.6633 NPC164514
Remote Similarity 0.663 NPC262295
Remote Similarity 0.663 NPC473031
Remote Similarity 0.6627 NPC125144
Remote Similarity 0.6627 NPC121708
Remote Similarity 0.6625 NPC178527
Remote Similarity 0.6591 NPC192623
Remote Similarity 0.6582 NPC45756
Remote Similarity 0.6566 NPC125732
Remote Similarity 0.6559 NPC111233
Remote Similarity 0.6559 NPC12429
Remote Similarity 0.6543 NPC52330
Remote Similarity 0.6543 NPC6107
Remote Similarity 0.6543 NPC267443
Remote Similarity 0.6538 NPC45255
Remote Similarity 0.6531 NPC324569
Remote Similarity 0.6526 NPC226438
Remote Similarity 0.6526 NPC245259
Remote Similarity 0.6512 NPC110264
Remote Similarity 0.6489 NPC470877
Remote Similarity 0.6489 NPC173991
Remote Similarity 0.6458 NPC108800
Remote Similarity 0.6444 NPC14326
Remote Similarity 0.6436 NPC327226
Remote Similarity 0.6421 NPC78041
Remote Similarity 0.6421 NPC74936
Remote Similarity 0.6421 NPC141139
Remote Similarity 0.6421 NPC316108
Remote Similarity 0.6421 NPC159178
Remote Similarity 0.6421 NPC209764
Remote Similarity 0.6421 NPC121872
Remote Similarity 0.6421 NPC471307
Remote Similarity 0.642 NPC36440
Remote Similarity 0.642 NPC113837
Remote Similarity 0.642 NPC289915
Remote Similarity 0.641 NPC147578
Remote Similarity 0.6404 NPC475573
Remote Similarity 0.6404 NPC309279
Remote Similarity 0.6404 NPC475289
Remote Similarity 0.6386 NPC213570
Remote Similarity 0.6386 NPC473206
Remote Similarity 0.6386 NPC246822
Remote Similarity 0.6386 NPC139416
Remote Similarity 0.6373 NPC68055
Remote Similarity 0.6373 NPC164859
Remote Similarity 0.6354 NPC470926
Remote Similarity 0.6346 NPC327481
Remote Similarity 0.6329 NPC200624
Remote Similarity 0.6327 NPC161972
Remote Similarity 0.6327 NPC303045
Remote Similarity 0.6322 NPC35599
Remote Similarity 0.6311 NPC150254
Remote Similarity 0.6311 NPC226778
Remote Similarity 0.6311 NPC147000
Remote Similarity 0.6311 NPC304761
Remote Similarity 0.6311 NPC275467
Remote Similarity 0.631 NPC72670
Remote Similarity 0.631 NPC263385
Remote Similarity 0.631 NPC251490
Remote Similarity 0.6296 NPC264470
Remote Similarity 0.6289 NPC473661
Remote Similarity 0.6277 NPC305602
Remote Similarity 0.6277 NPC17497
Remote Similarity 0.6265 NPC311343
Remote Similarity 0.6265 NPC78954
Remote Similarity 0.6265 NPC82770
Remote Similarity 0.6265 NPC239931
Remote Similarity 0.6263 NPC25565
Remote Similarity 0.625 NPC172128
Remote Similarity 0.625 NPC67043
Remote Similarity 0.625 NPC42383
Remote Similarity 0.6237 NPC3210
Remote Similarity 0.6235 NPC208302
Remote Similarity 0.6235 NPC39799
Remote Similarity 0.6235 NPC87099
Remote Similarity 0.6235 NPC280135
Remote Similarity 0.6235 NPC193578
Remote Similarity 0.6235 NPC135433
Remote Similarity 0.6235 NPC1008
Remote Similarity 0.6235 NPC226999
Remote Similarity 0.6235 NPC158028
Remote Similarity 0.6235 NPC74458
Remote Similarity 0.6224 NPC471309
Remote Similarity 0.6207 NPC301874
Remote Similarity 0.62 NPC311242
Remote Similarity 0.62 NPC475439
Remote Similarity 0.62 NPC473501
Remote Similarity 0.619 NPC98880
Remote Similarity 0.619 NPC169222
Remote Similarity 0.619 NPC5324
Remote Similarity 0.619 NPC235059
Remote Similarity 0.619 NPC16190
Remote Similarity 0.6163 NPC54269
Remote Similarity 0.6163 NPC1901
Remote Similarity 0.6163 NPC212463
Remote Similarity 0.6163 NPC271437
Remote Similarity 0.6163 NPC285679
Remote Similarity 0.6162 NPC58674
Remote Similarity 0.6132 NPC186469
Remote Similarity 0.6118 NPC95289
Remote Similarity 0.6118 NPC271732
Remote Similarity 0.6111 NPC319579
Remote Similarity 0.61 NPC317400
Remote Similarity 0.6092 NPC108218
Remote Similarity 0.6092 NPC208075
Remote Similarity 0.6092 NPC258492
Remote Similarity 0.6092 NPC96835
Remote Similarity 0.6082 NPC92689
Remote Similarity 0.6075 NPC97811
Remote Similarity 0.6071 NPC22760
Remote Similarity 0.6061 NPC71140
Remote Similarity 0.6055 NPC329011
Remote Similarity 0.6055 NPC275410
Remote Similarity 0.6047 NPC155429
Remote Similarity 0.6047 NPC326200
Remote Similarity 0.6042 NPC325441
Remote Similarity 0.604 NPC472258

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  136.10
ALogP  -0.7487
MLogP  2.12
XLogP  2.898
HDA  2
HBD  2
Rotatable Bonds  4
TPSA  38.05
RO5 Violation  0