Drug Information

Drug ID:  NPD3346
Drug Name:  Phenindamine
Molecular Formula:  C19H19N
Canonical SMILES:  CN1CCC2=C(C1)C(c1ccccc1)c1c2cccc1
Standard InCHI:  InChI=1S/C19H19N/c1-20-12-11-16-15-9-5-6-10-17(15)19(18(16)13-20)14-7-3-2-4-8-14/h2-10,19H,11-13H2,1H3
Standard InCHIKey:  ISFHAYSTHMVOJR-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD3346

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 0.837 NPC470926
Intermediate Similarity 0.7889 NPC104070
Intermediate Similarity 0.7879 NPC474582
Intermediate Similarity 0.7865 NPC231986
Intermediate Similarity 0.7802 NPC133162
Intermediate Similarity 0.7745 NPC474695
Intermediate Similarity 0.7732 NPC329430
Intermediate Similarity 0.7624 NPC239854
Intermediate Similarity 0.7553 NPC60408
Intermediate Similarity 0.75 NPC271642
Intermediate Similarity 0.7419 NPC169016
Intermediate Similarity 0.7386 NPC98976
Intermediate Similarity 0.7326 NPC263385
Intermediate Similarity 0.7263 NPC258046
Intermediate Similarity 0.7159 NPC1901
Intermediate Similarity 0.7159 NPC54269
Intermediate Similarity 0.7143 NPC155172
Intermediate Similarity 0.7143 NPC255345
Intermediate Similarity 0.7126 NPC251490
Intermediate Similarity 0.7117 NPC246904
Intermediate Similarity 0.7111 NPC139658
Intermediate Similarity 0.7065 NPC159661
Intermediate Similarity 0.7033 NPC249018
Intermediate Similarity 0.7033 NPC3190
Intermediate Similarity 0.7011 NPC139416
Intermediate Similarity 0.7011 NPC213570
Intermediate Similarity 0.7011 NPC246822
Remote Similarity 0.6957 NPC12857
Remote Similarity 0.6947 NPC119677
Remote Similarity 0.6941 NPC291066
Remote Similarity 0.6932 NPC72670
Remote Similarity 0.6931 NPC322040
Remote Similarity 0.6905 NPC22786
Remote Similarity 0.6905 NPC71009
Remote Similarity 0.6905 NPC66517
Remote Similarity 0.6903 NPC473573
Remote Similarity 0.6854 NPC280135
Remote Similarity 0.6854 NPC39799
Remote Similarity 0.6854 NPC158028
Remote Similarity 0.6854 NPC193578
Remote Similarity 0.6854 NPC87099
Remote Similarity 0.6854 NPC1008
Remote Similarity 0.6854 NPC226999
Remote Similarity 0.6854 NPC135433
Remote Similarity 0.6837 NPC17497
Remote Similarity 0.6837 NPC305602
Remote Similarity 0.6824 NPC113670
Remote Similarity 0.6824 NPC21211
Remote Similarity 0.6818 NPC297358
Remote Similarity 0.6813 NPC276699
Remote Similarity 0.6813 NPC307195
Remote Similarity 0.6809 NPC315216
Remote Similarity 0.6792 NPC291610
Remote Similarity 0.6786 NPC210849
Remote Similarity 0.6786 NPC310758
Remote Similarity 0.6786 NPC238023
Remote Similarity 0.6786 NPC135924
Remote Similarity 0.6786 NPC246588
Remote Similarity 0.6782 NPC267443
Remote Similarity 0.6778 NPC244738
Remote Similarity 0.6771 NPC474088
Remote Similarity 0.6759 NPC167336
Remote Similarity 0.6744 NPC198023
Remote Similarity 0.6744 NPC32312
Remote Similarity 0.6742 NPC229235
Remote Similarity 0.6735 NPC203076
Remote Similarity 0.6731 NPC472258
Remote Similarity 0.6705 NPC22760
Remote Similarity 0.6703 NPC96835
Remote Similarity 0.6703 NPC113000
Remote Similarity 0.6703 NPC258492
Remote Similarity 0.6703 NPC122327
Remote Similarity 0.6703 NPC112609
Remote Similarity 0.6699 NPC256452
Remote Similarity 0.6667 NPC290638
Remote Similarity 0.6667 NPC473661
Remote Similarity 0.6667 NPC98269
Remote Similarity 0.6667 NPC325662
Remote Similarity 0.6638 NPC192209
Remote Similarity 0.6629 NPC200936
Remote Similarity 0.6629 NPC473206
Remote Similarity 0.6628 NPC45756
Remote Similarity 0.6628 NPC88566
Remote Similarity 0.6606 NPC473418
Remote Similarity 0.6596 NPC245896
Remote Similarity 0.6596 NPC66270
Remote Similarity 0.6591 NPC6107
Remote Similarity 0.6579 NPC187036
Remote Similarity 0.6571 NPC311242
Remote Similarity 0.6559 NPC110264
Remote Similarity 0.6556 NPC219246
Remote Similarity 0.6555 NPC475915
Remote Similarity 0.6548 NPC114327
Remote Similarity 0.6548 NPC36357
Remote Similarity 0.6522 NPC299134
Remote Similarity 0.6518 NPC65855
Remote Similarity 0.6518 NPC292758
Remote Similarity 0.6512 NPC29680
Remote Similarity 0.65 NPC473031
Remote Similarity 0.6495 NPC14326
Remote Similarity 0.6477 NPC113837
Remote Similarity 0.6477 NPC178527
Remote Similarity 0.6477 NPC289915
Remote Similarity 0.6475 NPC79698
Remote Similarity 0.6458 NPC50063
Remote Similarity 0.6442 NPC474974
Remote Similarity 0.6441 NPC320656
Remote Similarity 0.6441 NPC264580
Remote Similarity 0.6429 NPC120441
Remote Similarity 0.6429 NPC300345
Remote Similarity 0.6429 NPC212114
Remote Similarity 0.6429 NPC65873
Remote Similarity 0.6417 NPC314192
Remote Similarity 0.6396 NPC45033
Remote Similarity 0.6395 NPC248705
Remote Similarity 0.6395 NPC54368
Remote Similarity 0.6395 NPC150196
Remote Similarity 0.6389 NPC469457
Remote Similarity 0.6381 NPC108339
Remote Similarity 0.6381 NPC303045
Remote Similarity 0.6381 NPC161972
Remote Similarity 0.6373 NPC470877
Remote Similarity 0.6364 NPC264470
Remote Similarity 0.6364 NPC109151
Remote Similarity 0.6356 NPC313449
Remote Similarity 0.6325 NPC288232
Remote Similarity 0.6322 NPC200745
Remote Similarity 0.6321 NPC471319
Remote Similarity 0.6321 NPC471320
Remote Similarity 0.6311 NPC141139
Remote Similarity 0.6311 NPC74936
Remote Similarity 0.6311 NPC172128
Remote Similarity 0.6311 NPC78041
Remote Similarity 0.6311 NPC471307
Remote Similarity 0.6311 NPC159178
Remote Similarity 0.6311 NPC209764
Remote Similarity 0.6311 NPC121872
Remote Similarity 0.631 NPC198841
Remote Similarity 0.631 NPC269586
Remote Similarity 0.6299 NPC473962
Remote Similarity 0.6293 NPC296163
Remote Similarity 0.6289 NPC475289
Remote Similarity 0.6289 NPC475573
Remote Similarity 0.6286 NPC469330
Remote Similarity 0.6283 NPC77294
Remote Similarity 0.6279 NPC147062
Remote Similarity 0.6275 NPC12429
Remote Similarity 0.625 NPC473498
Remote Similarity 0.625 NPC50266
Remote Similarity 0.6239 NPC316797
Remote Similarity 0.622 NPC126458
Remote Similarity 0.6216 NPC275467
Remote Similarity 0.6214 NPC176858
Remote Similarity 0.6214 NPC298115
Remote Similarity 0.6195 NPC79618
Remote Similarity 0.6195 NPC434
Remote Similarity 0.619 NPC108800
Remote Similarity 0.619 NPC149436
Remote Similarity 0.619 NPC277704
Remote Similarity 0.619 NPC40488
Remote Similarity 0.6167 NPC220698
Remote Similarity 0.6163 NPC64270
Remote Similarity 0.6163 NPC8235
Remote Similarity 0.6161 NPC143516
Remote Similarity 0.6161 NPC474559
Remote Similarity 0.6154 NPC476160
Remote Similarity 0.6154 NPC191444
Remote Similarity 0.6148 NPC316896
Remote Similarity 0.6146 NPC9796
Remote Similarity 0.6139 NPC3210
Remote Similarity 0.6132 NPC7067
Remote Similarity 0.6132 NPC471309
Remote Similarity 0.6129 NPC265789
Remote Similarity 0.6117 NPC262393
Remote Similarity 0.6111 NPC36440
Remote Similarity 0.6106 NPC130898
Remote Similarity 0.6106 NPC474804
Remote Similarity 0.6106 NPC191215
Remote Similarity 0.6106 NPC474973
Remote Similarity 0.6106 NPC274089
Remote Similarity 0.6095 NPC475059
Remote Similarity 0.6095 NPC220596
Remote Similarity 0.6095 NPC125226
Remote Similarity 0.6095 NPC226438
Remote Similarity 0.6095 NPC475023
Remote Similarity 0.6092 NPC169110
Remote Similarity 0.6087 NPC158854
Remote Similarity 0.6067 NPC476559
Remote Similarity 0.6063 NPC268763
Remote Similarity 0.6063 NPC66177
Remote Similarity 0.6063 NPC8305
Remote Similarity 0.6061 NPC242628
Remote Similarity 0.6058 NPC113307
Remote Similarity 0.6055 NPC322598
Remote Similarity 0.6053 NPC55529
Remote Similarity 0.604 NPC95429
Remote Similarity 0.6038 NPC314690
Remote Similarity 0.6038 NPC475057
Remote Similarity 0.602 NPC272260
Remote Similarity 0.6019 NPC25565

Drug Structure

External Identifiers

TTD   DAP001073
DrugBank   DB01619
ChEMBL   CHEMBL278398
IUPHAR/BPS  
PharmaGKB   PA164750491
KEGG Drug  
PubChem CID   11291
ChEBI   8065
CAS Number  82-88-2

Drug Properties

Molecular Weight  261.15
ALogP  0.5369
MLogP  3.44
XLogP  6.412
HDA  1
HBD  0
Rotatable Bonds  2
TPSA  3.24
RO5 Violation  1