Drug Information

Drug ID:  NPD6013
Drug Name:  Betamethasone Acetate
Molecular Formula:  C24H31FO6
Canonical SMILES:  CC(=O)OCC(=O)[C@@]1(O)[C@@H](C)C[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F
Standard InCHI:  InChI=1S/C24H31FO6/c1-13-9-18-17-6-5-15-10-16(27)7-8-21(15,3)23(17,25)19(28)11-22(18,4)24(13,30)20(29)12-31-14(2)26/h7-8,10,13,17-19,28,30H,5-6,9,11-12H2,1-4H3/t13-,17-,18-,19-,21-,22-,23-,24-/m0/s1
Standard InCHIKey:  AKUJBENLRBOFTD-QZIXMDIESA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD6013

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 1.0 NPC2766
High Similarity 0.98 NPC44063
High Similarity 0.92 NPC144956
High Similarity 0.9 NPC18509
High Similarity 0.8846 NPC235889
High Similarity 0.8796 NPC71348
High Similarity 0.8785 NPC235077
High Similarity 0.8762 NPC181265
High Similarity 0.8727 NPC270958
High Similarity 0.8704 NPC43775
High Similarity 0.8667 NPC137657
High Similarity 0.8654 NPC22388
High Similarity 0.8649 NPC471854
High Similarity 0.8624 NPC475524
High Similarity 0.8624 NPC100267
High Similarity 0.8611 NPC197428
High Similarity 0.8596 NPC313528
High Similarity 0.8571 NPC311554
High Similarity 0.8571 NPC118638
High Similarity 0.8571 NPC257457
High Similarity 0.8545 NPC202889
High Similarity 0.8545 NPC194100
High Similarity 0.8544 NPC114274
High Similarity 0.8532 NPC231589
High Similarity 0.8532 NPC118860
High Similarity 0.8532 NPC214797
High Similarity 0.8519 NPC241927
High Similarity 0.8519 NPC258543
High Similarity 0.8505 NPC475294
High Similarity 0.85 NPC168027
High Similarity 0.85 NPC185936
Intermediate Similarity 0.8491 NPC29705
Intermediate Similarity 0.8476 NPC271266
Intermediate Similarity 0.8476 NPC308351
Intermediate Similarity 0.8455 NPC170487
Intermediate Similarity 0.8426 NPC94529
Intermediate Similarity 0.8416 NPC109414
Intermediate Similarity 0.8411 NPC196528
Intermediate Similarity 0.8396 NPC311612
Intermediate Similarity 0.8393 NPC148458
Intermediate Similarity 0.8381 NPC476240
Intermediate Similarity 0.8381 NPC224720
Intermediate Similarity 0.8381 NPC476223
Intermediate Similarity 0.8381 NPC81530
Intermediate Similarity 0.8365 NPC477854
Intermediate Similarity 0.835 NPC305483
Intermediate Similarity 0.835 NPC328162
Intermediate Similarity 0.835 NPC477853
Intermediate Similarity 0.835 NPC96859
Intermediate Similarity 0.8349 NPC214644
Intermediate Similarity 0.8349 NPC41405
Intermediate Similarity 0.8349 NPC304495
Intermediate Similarity 0.8333 NPC185
Intermediate Similarity 0.8333 NPC220974
Intermediate Similarity 0.8319 NPC239273
Intermediate Similarity 0.8302 NPC87351
Intermediate Similarity 0.8302 NPC136289
Intermediate Similarity 0.8302 NPC473928
Intermediate Similarity 0.8302 NPC308726
Intermediate Similarity 0.8302 NPC119601
Intermediate Similarity 0.83 NPC326627
Intermediate Similarity 0.83 NPC310010
Intermediate Similarity 0.8288 NPC221144
Intermediate Similarity 0.8288 NPC147180
Intermediate Similarity 0.8288 NPC264634
Intermediate Similarity 0.8288 NPC280782
Intermediate Similarity 0.8286 NPC472972
Intermediate Similarity 0.8286 NPC476274
Intermediate Similarity 0.8269 NPC108078
Intermediate Similarity 0.8257 NPC472825
Intermediate Similarity 0.8252 NPC469599
Intermediate Similarity 0.8252 NPC317586
Intermediate Similarity 0.8252 NPC477437
Intermediate Similarity 0.8252 NPC477438
Intermediate Similarity 0.8252 NPC470016
Intermediate Similarity 0.8241 NPC231530
Intermediate Similarity 0.8241 NPC470267
Intermediate Similarity 0.8241 NPC265127
Intermediate Similarity 0.8241 NPC278628
Intermediate Similarity 0.8235 NPC470376
Intermediate Similarity 0.8235 NPC477435
Intermediate Similarity 0.8235 NPC470375
Intermediate Similarity 0.8235 NPC477436
Intermediate Similarity 0.8224 NPC140723
Intermediate Similarity 0.8214 NPC250109
Intermediate Similarity 0.8214 NPC52634
Intermediate Similarity 0.8214 NPC962
Intermediate Similarity 0.8208 NPC477051
Intermediate Similarity 0.8208 NPC477052
Intermediate Similarity 0.8208 NPC477053
Intermediate Similarity 0.8208 NPC163372
Intermediate Similarity 0.8208 NPC302537
Intermediate Similarity 0.82 NPC328539
Intermediate Similarity 0.8198 NPC207689
Intermediate Similarity 0.819 NPC222011
Intermediate Similarity 0.8174 NPC61520
Intermediate Similarity 0.8173 NPC49371
Intermediate Similarity 0.8173 NPC192428
Intermediate Similarity 0.8155 NPC166906
Intermediate Similarity 0.8155 NPC111015
Intermediate Similarity 0.8155 NPC477439
Intermediate Similarity 0.8137 NPC154101
Intermediate Similarity 0.8136 NPC473255
Intermediate Similarity 0.8131 NPC477054
Intermediate Similarity 0.8125 NPC152117
Intermediate Similarity 0.8125 NPC234042
Intermediate Similarity 0.812 NPC222688
Intermediate Similarity 0.8119 NPC475921
Intermediate Similarity 0.8119 NPC305039
Intermediate Similarity 0.8119 NPC474704
Intermediate Similarity 0.8113 NPC474720
Intermediate Similarity 0.8113 NPC83709
Intermediate Similarity 0.8113 NPC15390
Intermediate Similarity 0.8108 NPC5284
Intermediate Similarity 0.8103 NPC109973
Intermediate Similarity 0.8095 NPC57416
Intermediate Similarity 0.8095 NPC43747
Intermediate Similarity 0.8095 NPC473456
Intermediate Similarity 0.8095 NPC226986
Intermediate Similarity 0.8095 NPC107243
Intermediate Similarity 0.8095 NPC69385
Intermediate Similarity 0.8091 NPC469844
Intermediate Similarity 0.8091 NPC177064
Intermediate Similarity 0.8091 NPC470269
Intermediate Similarity 0.8087 NPC329736
Intermediate Similarity 0.8077 NPC69548
Intermediate Similarity 0.8077 NPC184848
Intermediate Similarity 0.8073 NPC60681
Intermediate Similarity 0.8073 NPC475571
Intermediate Similarity 0.8073 NPC257353
Intermediate Similarity 0.807 NPC298278
Intermediate Similarity 0.807 NPC49492
Intermediate Similarity 0.807 NPC266728
Intermediate Similarity 0.8058 NPC233118
Intermediate Similarity 0.8058 NPC79117
Intermediate Similarity 0.8058 NPC294263
Intermediate Similarity 0.8056 NPC112009
Intermediate Similarity 0.8056 NPC236390
Intermediate Similarity 0.8056 NPC470839
Intermediate Similarity 0.8056 NPC179208
Intermediate Similarity 0.8056 NPC159442
Intermediate Similarity 0.8056 NPC33973
Intermediate Similarity 0.8056 NPC70967
Intermediate Similarity 0.8056 NPC111323
Intermediate Similarity 0.8056 NPC264048
Intermediate Similarity 0.8056 NPC191892
Intermediate Similarity 0.8053 NPC255017
Intermediate Similarity 0.8053 NPC472926
Intermediate Similarity 0.8051 NPC473979
Intermediate Similarity 0.8039 NPC471896
Intermediate Similarity 0.8037 NPC474327
Intermediate Similarity 0.8034 NPC470921
Intermediate Similarity 0.8019 NPC197386
Intermediate Similarity 0.8019 NPC176845
Intermediate Similarity 0.8019 NPC477813
Intermediate Similarity 0.8018 NPC474901
Intermediate Similarity 0.8018 NPC475941
Intermediate Similarity 0.8017 NPC472933
Intermediate Similarity 0.8 NPC473265
Intermediate Similarity 0.8 NPC473253
Intermediate Similarity 0.8 NPC144854
Intermediate Similarity 0.8 NPC470959
Intermediate Similarity 0.8 NPC13949
Intermediate Similarity 0.8 NPC327115
Intermediate Similarity 0.8 NPC173272
Intermediate Similarity 0.8 NPC470882
Intermediate Similarity 0.8 NPC472925
Intermediate Similarity 0.8 NPC471153
Intermediate Similarity 0.8 NPC243065
Intermediate Similarity 0.8 NPC95565
Intermediate Similarity 0.8 NPC83744
Intermediate Similarity 0.8 NPC3316
Intermediate Similarity 0.8 NPC476965
Intermediate Similarity 0.8 NPC249954
Intermediate Similarity 0.8 NPC471039
Intermediate Similarity 0.7982 NPC75531
Intermediate Similarity 0.7982 NPC96268
Intermediate Similarity 0.7982 NPC2436
Intermediate Similarity 0.7982 NPC470953
Intermediate Similarity 0.7982 NPC471293
Intermediate Similarity 0.7982 NPC472228
Intermediate Similarity 0.7982 NPC473798
Intermediate Similarity 0.7982 NPC135854
Intermediate Similarity 0.7982 NPC216245
Intermediate Similarity 0.7982 NPC470251
Intermediate Similarity 0.7982 NPC255309
Intermediate Similarity 0.7982 NPC149124
Intermediate Similarity 0.7982 NPC472227
Intermediate Similarity 0.7981 NPC245972
Intermediate Similarity 0.7981 NPC272635
Intermediate Similarity 0.7981 NPC471040
Intermediate Similarity 0.7981 NPC169751
Intermediate Similarity 0.7981 NPC196485
Intermediate Similarity 0.7965 NPC475970
Intermediate Similarity 0.7965 NPC90769
Intermediate Similarity 0.7965 NPC474516
Intermediate Similarity 0.7965 NPC207251
Intermediate Similarity 0.7963 NPC473424
Intermediate Similarity 0.7963 NPC473163
Intermediate Similarity 0.7963 NPC477915

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  434.21
ALogP  -0.5649
MLogP  3.33
XLogP  1.449
HDA  6
HBD  2
Rotatable Bonds  11
TPSA  100.9
RO5 Violation  0