Drug Information

Drug ID:  NPD5598
Drug Name:  Butenafine
Molecular Formula:  C23H27N
Canonical SMILES:  CN(Cc1cccc2c1cccc2)Cc1ccc(cc1)C(C)(C)C
Standard InCHI:  InChI=1S/C23H27N/c1-23(2,3)21-14-12-18(13-15-21)16-24(4)17-20-10-7-9-19-8-5-6-11-22(19)20/h5-15H,16-17H2,1-4H3
Standard InCHIKey:  ABJKWBDEJIDSJZ-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD5598

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 0.8776 NPC239854
High Similarity 0.8617 NPC470926
Intermediate Similarity 0.8191 NPC60408
Intermediate Similarity 0.8155 NPC474695
Intermediate Similarity 0.8152 NPC104070
Intermediate Similarity 0.798 NPC329430
Intermediate Similarity 0.7912 NPC159661
Intermediate Similarity 0.7778 NPC271642
Intermediate Similarity 0.7692 NPC249018
Intermediate Similarity 0.7692 NPC3190
Intermediate Similarity 0.7684 NPC169016
Intermediate Similarity 0.7667 NPC307195
Intermediate Similarity 0.7667 NPC98976
Intermediate Similarity 0.7634 NPC315216
Intermediate Similarity 0.7596 NPC474582
Intermediate Similarity 0.7556 NPC258492
Intermediate Similarity 0.7556 NPC96835
Intermediate Similarity 0.7526 NPC258046
Intermediate Similarity 0.7419 NPC66270
Intermediate Similarity 0.7419 NPC245896
Intermediate Similarity 0.7333 NPC280135
Intermediate Similarity 0.7333 NPC1008
Intermediate Similarity 0.7333 NPC87099
Intermediate Similarity 0.7333 NPC135433
Intermediate Similarity 0.7333 NPC226999
Intermediate Similarity 0.7333 NPC158028
Intermediate Similarity 0.7333 NPC39799
Intermediate Similarity 0.7333 NPC193578
Intermediate Similarity 0.732 NPC133162
Intermediate Similarity 0.7263 NPC50063
Intermediate Similarity 0.7253 NPC54269
Intermediate Similarity 0.7234 NPC12857
Intermediate Similarity 0.7222 NPC72670
Intermediate Similarity 0.7188 NPC231986
Intermediate Similarity 0.7184 NPC322040
Intermediate Similarity 0.7111 NPC246822
Intermediate Similarity 0.7111 NPC139416
Intermediate Similarity 0.7111 NPC213570
Intermediate Similarity 0.7053 NPC255345
Intermediate Similarity 0.7041 NPC119677
Intermediate Similarity 0.7037 NPC291610
Remote Similarity 0.6915 NPC276699
Remote Similarity 0.6897 NPC246904
Remote Similarity 0.6889 NPC267443
Remote Similarity 0.6889 NPC6107
Remote Similarity 0.6875 NPC79618
Remote Similarity 0.6875 NPC434
Remote Similarity 0.6857 NPC469330
Remote Similarity 0.6848 NPC251490
Remote Similarity 0.6842 NPC139658
Remote Similarity 0.6842 NPC110264
Remote Similarity 0.6829 NPC79698
Remote Similarity 0.6807 NPC320656
Remote Similarity 0.6796 NPC298115
Remote Similarity 0.6778 NPC289915
Remote Similarity 0.6778 NPC113837
Remote Similarity 0.6778 NPC178527
Remote Similarity 0.6771 NPC325662
Remote Similarity 0.6771 NPC98269
Remote Similarity 0.6771 NPC290638
Remote Similarity 0.6702 NPC1901
Remote Similarity 0.6695 NPC473573
Remote Similarity 0.6667 NPC220596
Remote Similarity 0.6667 NPC219246
Remote Similarity 0.6667 NPC291066
Remote Similarity 0.6667 NPC125226
Remote Similarity 0.6667 NPC264580
Remote Similarity 0.6641 NPC473962
Remote Similarity 0.6636 NPC108339
Remote Similarity 0.6632 NPC299134
Remote Similarity 0.6602 NPC473031
Remote Similarity 0.6574 NPC471320
Remote Similarity 0.6574 NPC471319
Remote Similarity 0.6562 NPC126458
Remote Similarity 0.6556 NPC113670
Remote Similarity 0.6535 NPC474088
Remote Similarity 0.6526 NPC244738
Remote Similarity 0.6505 NPC203076
Remote Similarity 0.6504 NPC314192
Remote Similarity 0.6504 NPC475915
Remote Similarity 0.6489 NPC229235
Remote Similarity 0.6489 NPC263385
Remote Similarity 0.6484 NPC155172
Remote Similarity 0.6484 NPC198023
Remote Similarity 0.6484 NPC32312
Remote Similarity 0.6476 NPC176858
Remote Similarity 0.6476 NPC470877
Remote Similarity 0.6458 NPC112609
Remote Similarity 0.6458 NPC122327
Remote Similarity 0.6458 NPC113000
Remote Similarity 0.6449 NPC108800
Remote Similarity 0.6449 NPC473661
Remote Similarity 0.6444 NPC29680
Remote Similarity 0.6444 NPC22786
Remote Similarity 0.6444 NPC71009
Remote Similarity 0.6442 NPC305602
Remote Similarity 0.6442 NPC17497
Remote Similarity 0.6422 NPC185208
Remote Similarity 0.6422 NPC219573
Remote Similarity 0.6415 NPC159178
Remote Similarity 0.6415 NPC209764
Remote Similarity 0.6415 NPC74936
Remote Similarity 0.6415 NPC191444
Remote Similarity 0.6415 NPC78041
Remote Similarity 0.6415 NPC471307
Remote Similarity 0.6415 NPC141139
Remote Similarity 0.6415 NPC121872
Remote Similarity 0.6404 NPC167336
Remote Similarity 0.6404 NPC473418
Remote Similarity 0.6387 NPC187036
Remote Similarity 0.6381 NPC30445
Remote Similarity 0.6378 NPC252794
Remote Similarity 0.6374 NPC88566
Remote Similarity 0.6374 NPC45756
Remote Similarity 0.6364 NPC324602
Remote Similarity 0.6337 NPC242628
Remote Similarity 0.6333 NPC248705
Remote Similarity 0.6333 NPC238023
Remote Similarity 0.6333 NPC310758
Remote Similarity 0.6333 NPC150196
Remote Similarity 0.6333 NPC54368
Remote Similarity 0.6333 NPC246588
Remote Similarity 0.6333 NPC210849
Remote Similarity 0.6324 NPC470925
Remote Similarity 0.6311 NPC192209
Remote Similarity 0.6311 NPC313449
Remote Similarity 0.6308 NPC89769
Remote Similarity 0.6308 NPC259665
Remote Similarity 0.6308 NPC126859
Remote Similarity 0.6286 NPC253883
Remote Similarity 0.6286 NPC90844
Remote Similarity 0.6286 NPC95075
Remote Similarity 0.6286 NPC144863
Remote Similarity 0.6279 NPC66177
Remote Similarity 0.6279 NPC40488
Remote Similarity 0.6279 NPC268763
Remote Similarity 0.6279 NPC8305
Remote Similarity 0.625 NPC221825
Remote Similarity 0.624 NPC316896
Remote Similarity 0.6239 NPC471309
Remote Similarity 0.6231 NPC124802
Remote Similarity 0.6222 NPC147062
Remote Similarity 0.6216 NPC239185
Remote Similarity 0.6211 NPC473206
Remote Similarity 0.6211 NPC200936
Remote Similarity 0.6202 NPC478079
Remote Similarity 0.6202 NPC145754
Remote Similarity 0.6197 NPC219162
Remote Similarity 0.6197 NPC92541
Remote Similarity 0.6195 NPC128248
Remote Similarity 0.6195 NPC136810
Remote Similarity 0.6195 NPC476993
Remote Similarity 0.6195 NPC133809
Remote Similarity 0.619 NPC109151
Remote Similarity 0.6186 NPC292758
Remote Similarity 0.6186 NPC65855
Remote Similarity 0.6182 NPC472880
Remote Similarity 0.6161 NPC134882
Remote Similarity 0.6161 NPC49994
Remote Similarity 0.6154 NPC135924
Remote Similarity 0.6154 NPC267704
Remote Similarity 0.6154 NPC55529
Remote Similarity 0.6148 NPC288232
Remote Similarity 0.6147 NPC323420
Remote Similarity 0.6116 NPC296163
Remote Similarity 0.6111 NPC277277
Remote Similarity 0.6111 NPC26224
Remote Similarity 0.6111 NPC8235
Remote Similarity 0.6111 NPC64270
Remote Similarity 0.6111 NPC114327
Remote Similarity 0.6111 NPC36357
Remote Similarity 0.6098 NPC313673
Remote Similarity 0.6091 NPC289883
Remote Similarity 0.6087 NPC19856
Remote Similarity 0.6087 NPC66517
Remote Similarity 0.6075 NPC111233
Remote Similarity 0.6075 NPC12429
Remote Similarity 0.6071 NPC265220
Remote Similarity 0.6071 NPC311242
Remote Similarity 0.6071 NPC226041
Remote Similarity 0.6069 NPC26601
Remote Similarity 0.6068 NPC45033
Remote Similarity 0.6053 NPC109514
Remote Similarity 0.6053 NPC472879
Remote Similarity 0.605 NPC158854
Remote Similarity 0.6045 NPC325568
Remote Similarity 0.6045 NPC313352
Remote Similarity 0.6036 NPC256452
Remote Similarity 0.6034 NPC56168
Remote Similarity 0.6028 NPC469735
Remote Similarity 0.6022 NPC21211
Remote Similarity 0.6018 NPC75724
Remote Similarity 0.6015 NPC53044
Remote Similarity 0.6014 NPC130941
Remote Similarity 0.6 NPC212114
Remote Similarity 0.6 NPC59677
Remote Similarity 0.6 NPC65873
Remote Similarity 0.6 NPC120441
Remote Similarity 0.6 NPC300345
Remote Similarity 0.6 NPC228515

Drug Structure

External Identifiers

TTD   DAP001236
DrugBank   DB01091
ChEMBL   CHEMBL990
IUPHAR/BPS  
PharmaGKB   PA164745478
KEGG Drug  
PubChem CID   2484
ChEBI   3238
CAS Number  101828-21-1

Drug Properties

Molecular Weight  317.21
ALogP  1.6949
MLogP  3.88
XLogP  9.761
HDA  1
HBD  0
Rotatable Bonds  9
TPSA  3.24
RO5 Violation  1