Drug Information

Drug ID:  NPD1415
Drug Name:  Clobutinol
Molecular Formula:  C14H22ClNO
Canonical SMILES:  CC(C(Cc1ccc(cc1)Cl)(O)C)CN(C)C
Standard InCHI:  InChI=1S/C14H22ClNO/c1-11(10-16(3)4)14(2,17)9-12-5-7-13(15)8-6-12/h5-8,11,17H,9-10H2,1-4H3
Standard InCHIKey:  KVHHQGIIZCJATJ-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD1415

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 0.7925 NPC471310
Intermediate Similarity 0.7434 NPC313981
Intermediate Similarity 0.7328 NPC471318
Intermediate Similarity 0.7287 NPC316906
Intermediate Similarity 0.7263 NPC189371
Intermediate Similarity 0.7248 NPC228400
Intermediate Similarity 0.7248 NPC214200
Intermediate Similarity 0.7143 NPC474559
Intermediate Similarity 0.7043 NPC65855
Intermediate Similarity 0.7043 NPC292758
Intermediate Similarity 0.7041 NPC224544
Intermediate Similarity 0.7019 NPC12429
Intermediate Similarity 0.7 NPC133050
Remote Similarity 0.6952 NPC470877
Remote Similarity 0.6944 NPC58674
Remote Similarity 0.6937 NPC289381
Remote Similarity 0.6937 NPC155847
Remote Similarity 0.6893 NPC474354
Remote Similarity 0.6887 NPC78041
Remote Similarity 0.6887 NPC121872
Remote Similarity 0.6887 NPC74936
Remote Similarity 0.6887 NPC209764
Remote Similarity 0.6887 NPC471307
Remote Similarity 0.6887 NPC172128
Remote Similarity 0.6887 NPC159178
Remote Similarity 0.6887 NPC141139
Remote Similarity 0.6875 NPC327226
Remote Similarity 0.6829 NPC321133
Remote Similarity 0.6827 NPC474211
Remote Similarity 0.6796 NPC168855
Remote Similarity 0.6789 NPC161972
Remote Similarity 0.6789 NPC303045
Remote Similarity 0.6754 NPC147000
Remote Similarity 0.6754 NPC150254
Remote Similarity 0.6754 NPC226778
Remote Similarity 0.6754 NPC304761
Remote Similarity 0.6733 NPC192623
Remote Similarity 0.6733 NPC328178
Remote Similarity 0.6729 NPC316108
Remote Similarity 0.6727 NPC25565
Remote Similarity 0.6699 NPC477770
Remote Similarity 0.6697 NPC471309
Remote Similarity 0.6667 NPC475439
Remote Similarity 0.6667 NPC473501
Remote Similarity 0.6636 NPC215351
Remote Similarity 0.6636 NPC20142
Remote Similarity 0.6636 NPC1793
Remote Similarity 0.6635 NPC304538
Remote Similarity 0.6633 NPC108218
Remote Similarity 0.6609 NPC194390
Remote Similarity 0.6609 NPC88267
Remote Similarity 0.6609 NPC113326
Remote Similarity 0.6609 NPC224610
Remote Similarity 0.6607 NPC108606
Remote Similarity 0.6607 NPC290515
Remote Similarity 0.6607 NPC303611
Remote Similarity 0.6607 NPC164514
Remote Similarity 0.6607 NPC226096
Remote Similarity 0.6604 NPC471638
Remote Similarity 0.6604 NPC198747
Remote Similarity 0.6587 NPC317474
Remote Similarity 0.6587 NPC169485
Remote Similarity 0.6587 NPC84281
Remote Similarity 0.6587 NPC291027
Remote Similarity 0.6587 NPC213126
Remote Similarity 0.6574 NPC258627
Remote Similarity 0.6555 NPC474149
Remote Similarity 0.6514 NPC226438
Remote Similarity 0.6509 NPC93843
Remote Similarity 0.6509 NPC243166
Remote Similarity 0.6505 NPC231986
Remote Similarity 0.65 NPC271642
Remote Similarity 0.6491 NPC316797
Remote Similarity 0.6476 NPC95429
Remote Similarity 0.6471 NPC158854
Remote Similarity 0.646 NPC322598
Remote Similarity 0.6449 NPC322387
Remote Similarity 0.6442 NPC14326
Remote Similarity 0.6442 NPC87299
Remote Similarity 0.6442 NPC329319
Remote Similarity 0.6442 NPC103326
Remote Similarity 0.6442 NPC99394
Remote Similarity 0.6429 NPC208302
Remote Similarity 0.6422 NPC274455
Remote Similarity 0.6422 NPC86670
Remote Similarity 0.6422 NPC70940
Remote Similarity 0.6415 NPC3210
Remote Similarity 0.6408 NPC184030
Remote Similarity 0.6408 NPC164449
Remote Similarity 0.64 NPC98976
Remote Similarity 0.6393 NPC91452
Remote Similarity 0.6389 NPC325441
Remote Similarity 0.6387 NPC77294
Remote Similarity 0.6381 NPC172984
Remote Similarity 0.6381 NPC474088
Remote Similarity 0.6379 NPC178902
Remote Similarity 0.6379 NPC471317
Remote Similarity 0.6372 NPC311242
Remote Similarity 0.6372 NPC33168
Remote Similarity 0.6364 NPC245259
Remote Similarity 0.6356 NPC231705
Remote Similarity 0.6348 NPC469457
Remote Similarity 0.6346 NPC117180
Remote Similarity 0.6341 NPC113099
Remote Similarity 0.6337 NPC139658
Remote Similarity 0.6333 NPC258056
Remote Similarity 0.6328 NPC109151
Remote Similarity 0.6306 NPC314690
Remote Similarity 0.6306 NPC304541
Remote Similarity 0.6306 NPC265521
Remote Similarity 0.6303 NPC142297
Remote Similarity 0.6296 NPC473031
Remote Similarity 0.6296 NPC211237
Remote Similarity 0.6296 NPC313352
Remote Similarity 0.6293 NPC318154
Remote Similarity 0.629 NPC101139
Remote Similarity 0.629 NPC244403
Remote Similarity 0.6288 NPC17374
Remote Similarity 0.6286 NPC121478
Remote Similarity 0.6286 NPC73637
Remote Similarity 0.6273 NPC242240
Remote Similarity 0.6273 NPC123273
Remote Similarity 0.6273 NPC258219
Remote Similarity 0.6273 NPC318325
Remote Similarity 0.6271 NPC211551
Remote Similarity 0.6271 NPC476198
Remote Similarity 0.6271 NPC67043
Remote Similarity 0.627 NPC320656
Remote Similarity 0.6261 NPC125732
Remote Similarity 0.6261 NPC12730
Remote Similarity 0.625 NPC146096
Remote Similarity 0.6241 NPC69496
Remote Similarity 0.6239 NPC202613
Remote Similarity 0.6239 NPC68055
Remote Similarity 0.6231 NPC307020
Remote Similarity 0.6231 NPC285394
Remote Similarity 0.6226 NPC104070
Remote Similarity 0.6218 NPC327481
Remote Similarity 0.6216 NPC79917
Remote Similarity 0.621 NPC118202
Remote Similarity 0.6207 NPC72729
Remote Similarity 0.6204 NPC203076
Remote Similarity 0.6195 NPC27323
Remote Similarity 0.6195 NPC289769
Remote Similarity 0.6195 NPC316301
Remote Similarity 0.6195 NPC152415
Remote Similarity 0.6183 NPC477248
Remote Similarity 0.6183 NPC477249
Remote Similarity 0.6182 NPC113460
Remote Similarity 0.6182 NPC25493
Remote Similarity 0.6174 NPC6597
Remote Similarity 0.6174 NPC79241
Remote Similarity 0.6174 NPC77492
Remote Similarity 0.6165 NPC8305
Remote Similarity 0.6165 NPC268763
Remote Similarity 0.6165 NPC66177
Remote Similarity 0.6161 NPC306074
Remote Similarity 0.6161 NPC473661
Remote Similarity 0.616 NPC10286
Remote Similarity 0.616 NPC317254
Remote Similarity 0.616 NPC213
Remote Similarity 0.6147 NPC17497
Remote Similarity 0.6147 NPC305602
Remote Similarity 0.614 NPC3371
Remote Similarity 0.614 NPC8392
Remote Similarity 0.6132 NPC103387
Remote Similarity 0.6132 NPC475199
Remote Similarity 0.6132 NPC283012
Remote Similarity 0.6129 NPC276949
Remote Similarity 0.6129 NPC35850
Remote Similarity 0.6126 NPC280347
Remote Similarity 0.6126 NPC177420
Remote Similarity 0.6124 NPC316896
Remote Similarity 0.6117 NPC66655
Remote Similarity 0.6116 NPC24101
Remote Similarity 0.6116 NPC153690
Remote Similarity 0.6116 NPC96224
Remote Similarity 0.6111 NPC470544
Remote Similarity 0.6111 NPC99482
Remote Similarity 0.6106 NPC210497
Remote Similarity 0.6106 NPC3358
Remote Similarity 0.6106 NPC94139
Remote Similarity 0.6106 NPC55903
Remote Similarity 0.6106 NPC147284
Remote Similarity 0.6106 NPC306884
Remote Similarity 0.6106 NPC162314
Remote Similarity 0.6103 NPC3202
Remote Similarity 0.6103 NPC245836
Remote Similarity 0.6103 NPC233910
Remote Similarity 0.6103 NPC313663
Remote Similarity 0.6102 NPC19856
Remote Similarity 0.6098 NPC269340
Remote Similarity 0.6095 NPC309279
Remote Similarity 0.6091 NPC407
Remote Similarity 0.6091 NPC307235
Remote Similarity 0.6091 NPC23167
Remote Similarity 0.6091 NPC329064
Remote Similarity 0.6087 NPC122493
Remote Similarity 0.6087 NPC293628
Remote Similarity 0.6087 NPC10781

Drug Structure

External Identifiers

TTD   DIB014607
DrugBank   DB09004
ChEMBL   CHEMBL1474889
IUPHAR/BPS  
PharmaGKB  
KEGG Drug   D07716
PubChem CID  
ChEBI   94381
CAS Number  14860-49-2

Drug Properties

Molecular Weight  255.14
ALogP  1.1226
MLogP  2.67
XLogP  3.192
HDA  2
HBD  1
Rotatable Bonds  11
TPSA  23.47
RO5 Violation  0