Drug Information

Drug ID:  NPD2538
Drug Name:  Benzphetamine Hydrochloride
Molecular Formula:  C17H21N.ClH
Canonical SMILES:  CN([C@H](Cc1ccccc1)C)Cc1ccccc1.Cl
Standard InCHI:  InChI=1S/C17H21N.ClH/c1-15(13-16-9-5-3-6-10-16)18(2)14-17-11-7-4-8-12-17;/h3-12,15H,13-14H2,1-2H3;1H/t15-;/m0./s1
Standard InCHIKey:  ANFSNXAXVLRZCG-RSAXXLAASA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD2538

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 0.9176 NPC470926
High Similarity 0.8974 NPC271642
High Similarity 0.8846 NPC98976
High Similarity 0.8795 NPC169016
High Similarity 0.8675 NPC104070
Intermediate Similarity 0.8444 NPC329430
Intermediate Similarity 0.8434 NPC231986
Intermediate Similarity 0.8298 NPC239854
Intermediate Similarity 0.8293 NPC12857
Intermediate Similarity 0.8235 NPC119677
Intermediate Similarity 0.8171 NPC325662
Intermediate Similarity 0.8171 NPC98269
Intermediate Similarity 0.8105 NPC291610
Intermediate Similarity 0.7955 NPC258046
Intermediate Similarity 0.7857 NPC474695
Intermediate Similarity 0.7831 NPC139658
Intermediate Similarity 0.7805 NPC112609
Intermediate Similarity 0.7805 NPC113000
Intermediate Similarity 0.7805 NPC122327
Intermediate Similarity 0.7654 NPC219246
Intermediate Similarity 0.759 NPC299134
Intermediate Similarity 0.7553 NPC322040
Intermediate Similarity 0.7529 NPC290638
Intermediate Similarity 0.7528 NPC133162
Intermediate Similarity 0.7474 NPC108339
Intermediate Similarity 0.7473 NPC473031
Intermediate Similarity 0.747 NPC244738
Intermediate Similarity 0.7439 NPC229235
Intermediate Similarity 0.7436 NPC22786
Intermediate Similarity 0.7416 NPC474088
Intermediate Similarity 0.7396 NPC471320
Intermediate Similarity 0.7396 NPC471319
Intermediate Similarity 0.7363 NPC203076
Intermediate Similarity 0.7327 NPC473418
Intermediate Similarity 0.7312 NPC470877
Intermediate Similarity 0.7294 NPC276699
Intermediate Similarity 0.7283 NPC305602
Intermediate Similarity 0.7283 NPC17497
Intermediate Similarity 0.7273 NPC474582
Intermediate Similarity 0.7263 NPC473661
Intermediate Similarity 0.7234 NPC78041
Intermediate Similarity 0.7234 NPC141139
Intermediate Similarity 0.7234 NPC121872
Intermediate Similarity 0.7234 NPC74936
Intermediate Similarity 0.7234 NPC471307
Intermediate Similarity 0.7234 NPC159178
Intermediate Similarity 0.7234 NPC209764
Intermediate Similarity 0.7188 NPC469330
Intermediate Similarity 0.7157 NPC167336
Intermediate Similarity 0.7089 NPC210849
Intermediate Similarity 0.7089 NPC246588
Intermediate Similarity 0.7051 NPC36357
Intermediate Similarity 0.7051 NPC114327
Intermediate Similarity 0.701 NPC471309
Intermediate Similarity 0.7 NPC313449
Remote Similarity 0.699 NPC476198
Remote Similarity 0.697 NPC311242
Remote Similarity 0.6947 NPC176858
Remote Similarity 0.6944 NPC187036
Remote Similarity 0.6923 NPC212114
Remote Similarity 0.6923 NPC65873
Remote Similarity 0.6923 NPC120441
Remote Similarity 0.6923 NPC300345
Remote Similarity 0.6915 NPC60408
Remote Similarity 0.6914 NPC113670
Remote Similarity 0.69 NPC322598
Remote Similarity 0.6893 NPC469974
Remote Similarity 0.6887 NPC292758
Remote Similarity 0.6887 NPC65855
Remote Similarity 0.6875 NPC191444
Remote Similarity 0.6867 NPC267443
Remote Similarity 0.6847 NPC192209
Remote Similarity 0.6842 NPC12429
Remote Similarity 0.6829 NPC291066
Remote Similarity 0.6818 NPC288232
Remote Similarity 0.68 NPC472258
Remote Similarity 0.6795 NPC198841
Remote Similarity 0.6795 NPC269586
Remote Similarity 0.679 NPC71009
Remote Similarity 0.679 NPC200745
Remote Similarity 0.6789 NPC296163
Remote Similarity 0.6786 NPC264580
Remote Similarity 0.6786 NPC320656
Remote Similarity 0.6768 NPC303045
Remote Similarity 0.6768 NPC256452
Remote Similarity 0.6768 NPC161972
Remote Similarity 0.6765 NPC228400
Remote Similarity 0.6765 NPC214200
Remote Similarity 0.6762 NPC45033
Remote Similarity 0.6754 NPC475915
Remote Similarity 0.6754 NPC314192
Remote Similarity 0.6739 NPC14326
Remote Similarity 0.6735 NPC108800
Remote Similarity 0.6707 NPC50266
Remote Similarity 0.6706 NPC139416
Remote Similarity 0.6706 NPC213570
Remote Similarity 0.6706 NPC246822
Remote Similarity 0.6703 NPC475573
Remote Similarity 0.6703 NPC475289
Remote Similarity 0.6701 NPC172128
Remote Similarity 0.67 NPC25565
Remote Similarity 0.6698 NPC434
Remote Similarity 0.6698 NPC79618
Remote Similarity 0.6667 NPC277704
Remote Similarity 0.6667 NPC30445
Remote Similarity 0.6667 NPC54269
Remote Similarity 0.6667 NPC310758
Remote Similarity 0.6667 NPC238023
Remote Similarity 0.6667 NPC54368
Remote Similarity 0.6667 NPC135924
Remote Similarity 0.6667 NPC474974
Remote Similarity 0.6667 NPC248705
Remote Similarity 0.6667 NPC149436
Remote Similarity 0.6667 NPC150196
Remote Similarity 0.6636 NPC164802
Remote Similarity 0.6636 NPC77294
Remote Similarity 0.6634 NPC475439
Remote Similarity 0.6634 NPC473501
Remote Similarity 0.6633 NPC226438
Remote Similarity 0.6627 NPC32312
Remote Similarity 0.6627 NPC155172
Remote Similarity 0.6627 NPC198023
Remote Similarity 0.6625 NPC8235
Remote Similarity 0.6607 NPC470544
Remote Similarity 0.6585 NPC29680
Remote Similarity 0.6579 NPC226143
Remote Similarity 0.6577 NPC246904
Remote Similarity 0.6562 NPC471638
Remote Similarity 0.6552 NPC193578
Remote Similarity 0.6552 NPC135433
Remote Similarity 0.6552 NPC226999
Remote Similarity 0.6552 NPC1008
Remote Similarity 0.6552 NPC87099
Remote Similarity 0.6552 NPC39799
Remote Similarity 0.6552 NPC280135
Remote Similarity 0.6552 NPC158028
Remote Similarity 0.6549 NPC470545
Remote Similarity 0.6548 NPC36440
Remote Similarity 0.6548 NPC178527
Remote Similarity 0.6543 NPC147062
Remote Similarity 0.6543 NPC169110
Remote Similarity 0.6531 NPC316108
Remote Similarity 0.6531 NPC78154
Remote Similarity 0.6526 NPC229477
Remote Similarity 0.6526 NPC3210
Remote Similarity 0.6525 NPC79698
Remote Similarity 0.6512 NPC473206
Remote Similarity 0.6512 NPC200936
Remote Similarity 0.6509 NPC211551
Remote Similarity 0.6506 NPC45756
Remote Similarity 0.6506 NPC88566
Remote Similarity 0.65 NPC7067
Remote Similarity 0.65 NPC71140
Remote Similarity 0.6495 NPC111233
Remote Similarity 0.6491 NPC220698
Remote Similarity 0.6491 NPC470546
Remote Similarity 0.6481 NPC302790
Remote Similarity 0.6476 NPC471317
Remote Similarity 0.6476 NPC202613
Remote Similarity 0.6476 NPC471310
Remote Similarity 0.6471 NPC252794
Remote Similarity 0.6466 NPC257490
Remote Similarity 0.6465 NPC245259
Remote Similarity 0.646 NPC313673
Remote Similarity 0.6449 NPC473498
Remote Similarity 0.6442 NPC316797
Remote Similarity 0.6437 NPC72670
Remote Similarity 0.6437 NPC251490
Remote Similarity 0.6437 NPC263385
Remote Similarity 0.6436 NPC58674
Remote Similarity 0.6435 NPC177684
Remote Similarity 0.6435 NPC291962
Remote Similarity 0.6429 NPC33742
Remote Similarity 0.642 NPC64270
Remote Similarity 0.6417 NPC145754
Remote Similarity 0.6417 NPC476950
Remote Similarity 0.6415 NPC275467
Remote Similarity 0.6413 NPC159661
Remote Similarity 0.6392 NPC53492
Remote Similarity 0.6392 NPC262295
Remote Similarity 0.6389 NPC55529
Remote Similarity 0.6386 NPC66517
Remote Similarity 0.6379 NPC258531
Remote Similarity 0.6379 NPC161956
Remote Similarity 0.6379 NPC316582
Remote Similarity 0.6379 NPC112373
Remote Similarity 0.6374 NPC9796
Remote Similarity 0.6374 NPC249018
Remote Similarity 0.6374 NPC3190
Remote Similarity 0.6372 NPC473573
Remote Similarity 0.6372 NPC101139
Remote Similarity 0.6348 NPC228515
Remote Similarity 0.6344 NPC315216
Remote Similarity 0.6339 NPC276949
Remote Similarity 0.6339 NPC35850
Remote Similarity 0.6337 NPC246757
Remote Similarity 0.6337 NPC291070
Remote Similarity 0.6333 NPC307195
Remote Similarity 0.6325 NPC71684
Remote Similarity 0.6322 NPC5324

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  239.17
ALogP  0.1904
MLogP  3.22
XLogP  7.119
HDA  1
HBD  0
Rotatable Bonds  7
TPSA  3.24
RO5 Violation  1