Drug Information

Drug ID:  NPD187
Drug Name:  Beclamide
Molecular Formula:  C10H12ClNO
Canonical SMILES:  ClCCC(=NCc1ccccc1)O
Standard InCHI:  InChI=1S/C10H12ClNO/c11-7-6-10(13)12-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,13)
Standard InCHIKey:  JPYQFYIEOUVJDU-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD187

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 0.8953 NPC12429
Intermediate Similarity 0.8427 NPC470877
Intermediate Similarity 0.8333 NPC74936
Intermediate Similarity 0.8333 NPC121872
Intermediate Similarity 0.8333 NPC159178
Intermediate Similarity 0.8333 NPC78041
Intermediate Similarity 0.8333 NPC209764
Intermediate Similarity 0.8333 NPC471307
Intermediate Similarity 0.8333 NPC141139
Intermediate Similarity 0.8202 NPC473031
Intermediate Similarity 0.8144 NPC471310
Intermediate Similarity 0.8065 NPC471309
Intermediate Similarity 0.8 NPC471638
Intermediate Similarity 0.7742 NPC316108
Intermediate Similarity 0.7738 NPC299134
Intermediate Similarity 0.7692 NPC203076
Intermediate Similarity 0.766 NPC226438
Intermediate Similarity 0.766 NPC245259
Intermediate Similarity 0.7553 NPC78154
Intermediate Similarity 0.7444 NPC14326
Intermediate Similarity 0.7442 NPC98976
Intermediate Similarity 0.7426 NPC471317
Intermediate Similarity 0.7426 NPC202613
Intermediate Similarity 0.7423 NPC58674
Intermediate Similarity 0.7423 NPC161972
Intermediate Similarity 0.7423 NPC303045
Intermediate Similarity 0.7412 NPC244738
Intermediate Similarity 0.7381 NPC219246
Intermediate Similarity 0.7368 NPC172128
Intermediate Similarity 0.7356 NPC271642
Intermediate Similarity 0.7347 NPC25565
Intermediate Similarity 0.734 NPC325441
Intermediate Similarity 0.7315 NPC471318
Intermediate Similarity 0.7273 NPC473501
Intermediate Similarity 0.7273 NPC475439
Intermediate Similarity 0.7273 NPC311242
Intermediate Similarity 0.7222 NPC192623
Intermediate Similarity 0.7204 NPC3210
Intermediate Similarity 0.7191 NPC12857
Intermediate Similarity 0.7188 NPC258627
Intermediate Similarity 0.7174 NPC15839
Intermediate Similarity 0.7079 NPC325662
Intermediate Similarity 0.7079 NPC98269
Intermediate Similarity 0.7071 NPC108339
Intermediate Similarity 0.7053 NPC198747
Intermediate Similarity 0.7 NPC471319
Intermediate Similarity 0.7 NPC471320
Remote Similarity 0.6977 NPC229235
Remote Similarity 0.6961 NPC12730
Remote Similarity 0.6957 NPC307456
Remote Similarity 0.6931 NPC33168
Remote Similarity 0.6923 NPC178681
Remote Similarity 0.6897 NPC125144
Remote Similarity 0.6897 NPC121708
Remote Similarity 0.6893 NPC469457
Remote Similarity 0.6869 NPC265521
Remote Similarity 0.6857 NPC194390
Remote Similarity 0.6857 NPC224610
Remote Similarity 0.6857 NPC113326
Remote Similarity 0.6857 NPC88267
Remote Similarity 0.6829 NPC200624
Remote Similarity 0.6809 NPC104070
Remote Similarity 0.6783 NPC317564
Remote Similarity 0.6778 NPC139658
Remote Similarity 0.6762 NPC164859
Remote Similarity 0.6762 NPC178902
Remote Similarity 0.6742 NPC113000
Remote Similarity 0.6742 NPC122327
Remote Similarity 0.6742 NPC112609
Remote Similarity 0.6737 NPC169016
Remote Similarity 0.6729 NPC231705
Remote Similarity 0.6729 NPC327481
Remote Similarity 0.6667 NPC276699
Remote Similarity 0.6667 NPC3371
Remote Similarity 0.6636 NPC143516
Remote Similarity 0.6636 NPC211551
Remote Similarity 0.6636 NPC474559
Remote Similarity 0.6634 NPC469330
Remote Similarity 0.6634 NPC476483
Remote Similarity 0.6632 NPC474088
Remote Similarity 0.6632 NPC119677
Remote Similarity 0.6598 NPC258046
Remote Similarity 0.6574 NPC191215
Remote Similarity 0.6574 NPC474804
Remote Similarity 0.6574 NPC474973
Remote Similarity 0.6574 NPC274089
Remote Similarity 0.6574 NPC130898
Remote Similarity 0.6552 NPC78954
Remote Similarity 0.6552 NPC239931
Remote Similarity 0.6552 NPC82770
Remote Similarity 0.6545 NPC258056
Remote Similarity 0.6531 NPC305602
Remote Similarity 0.6531 NPC17497
Remote Similarity 0.6522 NPC290638
Remote Similarity 0.6517 NPC155429
Remote Similarity 0.6517 NPC208302
Remote Similarity 0.6514 NPC142297
Remote Similarity 0.6509 NPC329375
Remote Similarity 0.6486 NPC474149
Remote Similarity 0.6486 NPC319579
Remote Similarity 0.6471 NPC7067
Remote Similarity 0.6465 NPC262393
Remote Similarity 0.6458 NPC146703
Remote Similarity 0.6455 NPC153690
Remote Similarity 0.6455 NPC24101
Remote Similarity 0.6455 NPC96224
Remote Similarity 0.6429 NPC329011
Remote Similarity 0.642 NPC149436
Remote Similarity 0.6415 NPC29601
Remote Similarity 0.6408 NPC20142
Remote Similarity 0.6408 NPC215351
Remote Similarity 0.6404 NPC470550
Remote Similarity 0.6404 NPC205652
Remote Similarity 0.6389 NPC275467
Remote Similarity 0.6374 NPC108218
Remote Similarity 0.6373 NPC473661
Remote Similarity 0.6373 NPC323164
Remote Similarity 0.6372 NPC474584
Remote Similarity 0.6356 NPC160120
Remote Similarity 0.6356 NPC53596
Remote Similarity 0.6356 NPC289330
Remote Similarity 0.6356 NPC17388
Remote Similarity 0.6356 NPC471308
Remote Similarity 0.6355 NPC318154
Remote Similarity 0.6341 NPC269586
Remote Similarity 0.6341 NPC198841
Remote Similarity 0.6316 NPC35850
Remote Similarity 0.6316 NPC475289
Remote Similarity 0.6316 NPC309279
Remote Similarity 0.6316 NPC276949
Remote Similarity 0.6316 NPC475573
Remote Similarity 0.6311 NPC322040
Remote Similarity 0.6306 NPC473676
Remote Similarity 0.6304 NPC189371
Remote Similarity 0.6286 NPC122493
Remote Similarity 0.6286 NPC472258
Remote Similarity 0.6286 NPC10781
Remote Similarity 0.6286 NPC293628
Remote Similarity 0.6279 NPC50266
Remote Similarity 0.6275 NPC470926
Remote Similarity 0.6273 NPC471447
Remote Similarity 0.6273 NPC45033
Remote Similarity 0.6265 NPC65873
Remote Similarity 0.6265 NPC300345
Remote Similarity 0.6265 NPC120441
Remote Similarity 0.6265 NPC212114
Remote Similarity 0.6262 NPC289381
Remote Similarity 0.6262 NPC228400
Remote Similarity 0.6262 NPC155847
Remote Similarity 0.6262 NPC214200
Remote Similarity 0.6261 NPC118202
Remote Similarity 0.6261 NPC33742
Remote Similarity 0.625 NPC231986
Remote Similarity 0.6226 NPC226096
Remote Similarity 0.6226 NPC108606
Remote Similarity 0.6226 NPC290515
Remote Similarity 0.6226 NPC303611
Remote Similarity 0.6226 NPC164514
Remote Similarity 0.622 NPC277704
Remote Similarity 0.6216 NPC37584
Remote Similarity 0.6207 NPC317254
Remote Similarity 0.6207 NPC197470
Remote Similarity 0.6204 NPC327226
Remote Similarity 0.62 NPC53492
Remote Similarity 0.6198 NPC283130
Remote Similarity 0.6198 NPC471314
Remote Similarity 0.6198 NPC328683
Remote Similarity 0.6198 NPC471315
Remote Similarity 0.6195 NPC313981
Remote Similarity 0.619 NPC36357
Remote Similarity 0.619 NPC8235
Remote Similarity 0.619 NPC317400
Remote Similarity 0.619 NPC114327
Remote Similarity 0.618 NPC311343
Remote Similarity 0.6168 NPC125732
Remote Similarity 0.6161 NPC164802
Remote Similarity 0.6161 NPC77294
Remote Similarity 0.6154 NPC315276
Remote Similarity 0.6154 NPC2265
Remote Similarity 0.6154 NPC239357
Remote Similarity 0.6154 NPC470544
Remote Similarity 0.6154 NPC285926
Remote Similarity 0.6154 NPC147957
Remote Similarity 0.6154 NPC82963
Remote Similarity 0.6154 NPC14672
Remote Similarity 0.614 NPC275410
Remote Similarity 0.6132 NPC324569
Remote Similarity 0.6129 NPC32203
Remote Similarity 0.6129 NPC206800
Remote Similarity 0.6124 NPC159589
Remote Similarity 0.6121 NPC142599
Remote Similarity 0.6118 NPC147062
Remote Similarity 0.6118 NPC169110
Remote Similarity 0.6111 NPC98880
Remote Similarity 0.6111 NPC169222
Remote Similarity 0.6111 NPC16190
Remote Similarity 0.6111 NPC235059
Remote Similarity 0.6105 NPC224544
Remote Similarity 0.6102 NPC254088
Remote Similarity 0.6102 NPC470545

Drug Structure

External Identifiers

TTD   DIB010516
DrugBank   DB09011
ChEMBL   CHEMBL64195
IUPHAR/BPS  
PharmaGKB  
KEGG Drug   D07300
PubChem CID  
ChEBI   134859
CAS Number  501-68-8

Drug Properties

Molecular Weight  197.06
ALogP  0.4965
MLogP  2.23
XLogP  3.631
HDA  2
HBD  1
Rotatable Bonds  6
TPSA  32.59
RO5 Violation  0