Drug Information

Drug ID:  NPD3035
Drug Name:  Trimethyldiphenylpropylamine
Molecular Formula:  C18H23N
Canonical SMILES:  CC(N(C)C)CC(c1ccccc1)c1ccccc1
Standard InCHI:  InChI=1S/C18H23N/c1-15(19(2)3)14-18(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,15,18H,14H2,1-3H3
Standard InCHIKey:  NSHMKXVHJBBKTN-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD3035

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 0.875 NPC231986
High Similarity 0.8605 NPC470926
Intermediate Similarity 0.8214 NPC133162
Intermediate Similarity 0.8125 NPC271642
Intermediate Similarity 0.8 NPC98976
Intermediate Similarity 0.7912 NPC329430
Intermediate Similarity 0.7901 NPC139658
Intermediate Similarity 0.7882 NPC104070
Intermediate Similarity 0.7882 NPC119677
Intermediate Similarity 0.7875 NPC112609
Intermediate Similarity 0.7875 NPC113000
Intermediate Similarity 0.7875 NPC122327
Intermediate Similarity 0.7872 NPC474582
Intermediate Similarity 0.7805 NPC290638
Intermediate Similarity 0.7791 NPC169016
Intermediate Similarity 0.7789 NPC239854
Intermediate Similarity 0.7733 NPC22786
Intermediate Similarity 0.7727 NPC60408
Intermediate Similarity 0.7632 NPC113670
Intermediate Similarity 0.76 NPC135924
Intermediate Similarity 0.76 NPC210849
Intermediate Similarity 0.76 NPC246588
Intermediate Similarity 0.759 NPC325662
Intermediate Similarity 0.759 NPC98269
Intermediate Similarity 0.7564 NPC267443
Intermediate Similarity 0.7561 NPC276699
Intermediate Similarity 0.7551 NPC474695
Intermediate Similarity 0.7532 NPC198023
Intermediate Similarity 0.7532 NPC32312
Intermediate Similarity 0.7532 NPC155172
Intermediate Similarity 0.7531 NPC54269
Intermediate Similarity 0.7531 NPC244738
Intermediate Similarity 0.75 NPC12857
Intermediate Similarity 0.75 NPC229235
Intermediate Similarity 0.7471 NPC474088
Intermediate Similarity 0.7416 NPC203076
Intermediate Similarity 0.7403 NPC45756
Intermediate Similarity 0.7403 NPC88566
Intermediate Similarity 0.7375 NPC139416
Intermediate Similarity 0.7375 NPC246822
Intermediate Similarity 0.7375 NPC213570
Intermediate Similarity 0.7374 NPC167336
Intermediate Similarity 0.7333 NPC36357
Intermediate Similarity 0.7333 NPC114327
Intermediate Similarity 0.7308 NPC291066
Intermediate Similarity 0.7273 NPC29680
Intermediate Similarity 0.7273 NPC71009
Intermediate Similarity 0.7245 NPC291610
Intermediate Similarity 0.7222 NPC258046
Intermediate Similarity 0.7215 NPC178527
Intermediate Similarity 0.7209 NPC159661
Intermediate Similarity 0.72 NPC473418
Intermediate Similarity 0.72 NPC300345
Intermediate Similarity 0.72 NPC120441
Intermediate Similarity 0.72 NPC212114
Intermediate Similarity 0.72 NPC65873
Intermediate Similarity 0.7195 NPC226999
Intermediate Similarity 0.7195 NPC39799
Intermediate Similarity 0.7195 NPC87099
Intermediate Similarity 0.7195 NPC158028
Intermediate Similarity 0.7195 NPC193578
Intermediate Similarity 0.7195 NPC1008
Intermediate Similarity 0.7195 NPC135433
Intermediate Similarity 0.7195 NPC280135
Intermediate Similarity 0.7176 NPC249018
Intermediate Similarity 0.7176 NPC3190
Intermediate Similarity 0.716 NPC473206
Intermediate Similarity 0.7159 NPC14326
Intermediate Similarity 0.7143 NPC17497
Intermediate Similarity 0.7143 NPC248705
Intermediate Similarity 0.7143 NPC305602
Intermediate Similarity 0.7143 NPC150196
Intermediate Similarity 0.7143 NPC310758
Intermediate Similarity 0.7143 NPC54368
Intermediate Similarity 0.7143 NPC238023
Intermediate Similarity 0.7087 NPC65855
Intermediate Similarity 0.7087 NPC292758
Intermediate Similarity 0.7073 NPC72670
Intermediate Similarity 0.7073 NPC219246
Intermediate Similarity 0.7073 NPC251490
Intermediate Similarity 0.7073 NPC263385
Intermediate Similarity 0.7067 NPC269586
Intermediate Similarity 0.7067 NPC198841
Intermediate Similarity 0.7051 NPC200745
Intermediate Similarity 0.7024 NPC299134
Intermediate Similarity 0.7013 NPC147062
Intermediate Similarity 0.701 NPC311242
Remote Similarity 0.6979 NPC161972
Remote Similarity 0.6979 NPC303045
Remote Similarity 0.6962 NPC50266
Remote Similarity 0.6957 NPC473031
Remote Similarity 0.6951 NPC200936
Remote Similarity 0.6951 NPC297358
Remote Similarity 0.6947 NPC473661
Remote Similarity 0.6941 NPC307195
Remote Similarity 0.6939 NPC322598
Remote Similarity 0.6933 NPC277704
Remote Similarity 0.6933 NPC149436
Remote Similarity 0.6932 NPC475289
Remote Similarity 0.6932 NPC475573
Remote Similarity 0.6932 NPC315216
Remote Similarity 0.6916 NPC246904
Remote Similarity 0.6915 NPC172128
Remote Similarity 0.6914 NPC6107
Remote Similarity 0.6907 NPC25565
Remote Similarity 0.6905 NPC1901
Remote Similarity 0.6883 NPC8235
Remote Similarity 0.6883 NPC64270
Remote Similarity 0.6882 NPC12429
Remote Similarity 0.6875 NPC322040
Remote Similarity 0.686 NPC110264
Remote Similarity 0.6852 NPC473573
Remote Similarity 0.6837 NPC473501
Remote Similarity 0.6837 NPC475439
Remote Similarity 0.6837 NPC472258
Remote Similarity 0.6835 NPC66517
Remote Similarity 0.6829 NPC22760
Remote Similarity 0.6824 NPC96835
Remote Similarity 0.6824 NPC258492
Remote Similarity 0.6809 NPC470877
Remote Similarity 0.6809 NPC176858
Remote Similarity 0.6804 NPC108339
Remote Similarity 0.68 NPC228400
Remote Similarity 0.68 NPC214200
Remote Similarity 0.68 NPC316797
Remote Similarity 0.6796 NPC45033
Remote Similarity 0.6795 NPC169110
Remote Similarity 0.679 NPC36440
Remote Similarity 0.679 NPC113837
Remote Similarity 0.679 NPC289915
Remote Similarity 0.6782 NPC9796
Remote Similarity 0.675 NPC21211
Remote Similarity 0.6739 NPC3210
Remote Similarity 0.6737 NPC159178
Remote Similarity 0.6737 NPC316108
Remote Similarity 0.6737 NPC78041
Remote Similarity 0.6737 NPC74936
Remote Similarity 0.6737 NPC209764
Remote Similarity 0.6737 NPC191444
Remote Similarity 0.6737 NPC141139
Remote Similarity 0.6737 NPC471307
Remote Similarity 0.6737 NPC121872
Remote Similarity 0.6735 NPC471320
Remote Similarity 0.6735 NPC471319
Remote Similarity 0.6705 NPC255345
Remote Similarity 0.6705 NPC245896
Remote Similarity 0.6705 NPC66270
Remote Similarity 0.6667 NPC320656
Remote Similarity 0.6667 NPC226438
Remote Similarity 0.6667 NPC264470
Remote Similarity 0.6667 NPC264580
Remote Similarity 0.6636 NPC470544
Remote Similarity 0.6634 NPC469457
Remote Similarity 0.6633 NPC256452
Remote Similarity 0.663 NPC95429
Remote Similarity 0.6629 NPC272260
Remote Similarity 0.6596 NPC471638
Remote Similarity 0.6577 NPC470545
Remote Similarity 0.6556 NPC164449
Remote Similarity 0.6556 NPC184030
Remote Similarity 0.6556 NPC50063
Remote Similarity 0.6548 NPC5324
Remote Similarity 0.6538 NPC211551
Remote Similarity 0.6531 NPC71140
Remote Similarity 0.6531 NPC471309
Remote Similarity 0.6531 NPC469330
Remote Similarity 0.6531 NPC474974
Remote Similarity 0.6526 NPC30445
Remote Similarity 0.6518 NPC470546
Remote Similarity 0.6517 NPC103488
Remote Similarity 0.6514 NPC187036
Remote Similarity 0.6512 NPC212463
Remote Similarity 0.6509 NPC77294
Remote Similarity 0.6495 NPC245259
Remote Similarity 0.6491 NPC314192
Remote Similarity 0.6491 NPC475915
Remote Similarity 0.6465 NPC58674
Remote Similarity 0.6449 NPC158854
Remote Similarity 0.6444 NPC151405
Remote Similarity 0.6444 NPC139901
Remote Similarity 0.6442 NPC113326
Remote Similarity 0.6442 NPC224610
Remote Similarity 0.6442 NPC275467
Remote Similarity 0.6442 NPC194390
Remote Similarity 0.6442 NPC88267
Remote Similarity 0.6435 NPC109151
Remote Similarity 0.6429 NPC108800
Remote Similarity 0.6429 NPC192209
Remote Similarity 0.6421 NPC53492
Remote Similarity 0.6413 NPC73637
Remote Similarity 0.6413 NPC121478
Remote Similarity 0.6404 NPC179726
Remote Similarity 0.6404 NPC298023
Remote Similarity 0.6395 NPC121708
Remote Similarity 0.6395 NPC125144
Remote Similarity 0.6383 NPC475710
Remote Similarity 0.6381 NPC474559
Remote Similarity 0.6381 NPC476198
Remote Similarity 0.6374 NPC157055
Remote Similarity 0.6374 NPC17408

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  253.18
ALogP  0.3434
MLogP  3.33
XLogP  8.195
HDA  1
HBD  0
Rotatable Bonds  8
TPSA  3.24
RO5 Violation  1