Drug Information

Drug ID:  NPD6617
Drug Name:  Diflorasone Diacetate
Molecular Formula:  C26H32F2O7
Canonical SMILES:  CC(=O)O[C@@]1([C@@H](C)C[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2C[C@@H](C2=CC(=O)C=C[C@]12C)F)F)C(=O)COC(=O)C
Standard InCHI:  InChI=1S/C26H32F2O7/c1-13-8-17-18-10-20(27)19-9-16(31)6-7-23(19,4)25(18,28)21(32)11-24(17,5)26(13,35-15(3)30)22(33)12-34-14(2)29/h6-7,9,13,17-18,20-21,32H,8,10-12H2,1-5H3/t13-,17-,18-,20-,21-,23-,24-,25-,26-/m0/s1
Standard InCHIKey:  BOBLHFUVNSFZPJ-JOYXJVLSSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD6617

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 0.9804 NPC2766
High Similarity 0.9608 NPC44063
High Similarity 0.902 NPC144956
High Similarity 0.8857 NPC235889
High Similarity 0.8824 NPC18509
High Similarity 0.8807 NPC71348
High Similarity 0.8774 NPC181265
High Similarity 0.8739 NPC270958
High Similarity 0.8716 NPC43775
High Similarity 0.8679 NPC137657
High Similarity 0.8667 NPC22388
High Similarity 0.8661 NPC471854
High Similarity 0.8636 NPC100267
High Similarity 0.8636 NPC475524
High Similarity 0.8624 NPC197428
High Similarity 0.8624 NPC235077
High Similarity 0.8609 NPC313528
High Similarity 0.8584 NPC257457
High Similarity 0.8584 NPC118638
High Similarity 0.8584 NPC311554
High Similarity 0.8559 NPC202889
High Similarity 0.8545 NPC118860
High Similarity 0.8545 NPC231589
High Similarity 0.8545 NPC214797
High Similarity 0.8532 NPC241927
High Similarity 0.8532 NPC258543
High Similarity 0.8519 NPC475294
High Similarity 0.8505 NPC29705
Intermediate Similarity 0.8491 NPC308351
Intermediate Similarity 0.8491 NPC271266
Intermediate Similarity 0.8468 NPC170487
Intermediate Similarity 0.844 NPC94529
Intermediate Similarity 0.8426 NPC196528
Intermediate Similarity 0.8411 NPC311612
Intermediate Similarity 0.8407 NPC148458
Intermediate Similarity 0.8396 NPC224720
Intermediate Similarity 0.8396 NPC476240
Intermediate Similarity 0.8396 NPC476223
Intermediate Similarity 0.8393 NPC194100
Intermediate Similarity 0.8381 NPC114274
Intermediate Similarity 0.8381 NPC477854
Intermediate Similarity 0.8365 NPC96859
Intermediate Similarity 0.8365 NPC305483
Intermediate Similarity 0.8365 NPC328162
Intermediate Similarity 0.8364 NPC214644
Intermediate Similarity 0.8364 NPC41405
Intermediate Similarity 0.8364 NPC304495
Intermediate Similarity 0.8349 NPC185
Intermediate Similarity 0.8349 NPC220974
Intermediate Similarity 0.8333 NPC185936
Intermediate Similarity 0.8333 NPC168027
Intermediate Similarity 0.8333 NPC239273
Intermediate Similarity 0.8318 NPC473928
Intermediate Similarity 0.8318 NPC308726
Intermediate Similarity 0.8318 NPC119601
Intermediate Similarity 0.8318 NPC87351
Intermediate Similarity 0.8318 NPC136289
Intermediate Similarity 0.8304 NPC221144
Intermediate Similarity 0.8304 NPC264634
Intermediate Similarity 0.8304 NPC280782
Intermediate Similarity 0.8304 NPC147180
Intermediate Similarity 0.8302 NPC476274
Intermediate Similarity 0.8286 NPC108078
Intermediate Similarity 0.8269 NPC477438
Intermediate Similarity 0.8269 NPC470016
Intermediate Similarity 0.8269 NPC477437
Intermediate Similarity 0.8269 NPC469599
Intermediate Similarity 0.8269 NPC317586
Intermediate Similarity 0.8257 NPC470267
Intermediate Similarity 0.8257 NPC278628
Intermediate Similarity 0.8257 NPC231530
Intermediate Similarity 0.8257 NPC265127
Intermediate Similarity 0.8252 NPC109414
Intermediate Similarity 0.8252 NPC470376
Intermediate Similarity 0.8252 NPC477435
Intermediate Similarity 0.8252 NPC477436
Intermediate Similarity 0.8252 NPC470375
Intermediate Similarity 0.8241 NPC140723
Intermediate Similarity 0.823 NPC52634
Intermediate Similarity 0.823 NPC250109
Intermediate Similarity 0.823 NPC962
Intermediate Similarity 0.8224 NPC81530
Intermediate Similarity 0.8224 NPC477052
Intermediate Similarity 0.8224 NPC477051
Intermediate Similarity 0.8224 NPC163372
Intermediate Similarity 0.8224 NPC302537
Intermediate Similarity 0.8224 NPC477053
Intermediate Similarity 0.819 NPC61520
Intermediate Similarity 0.819 NPC49371
Intermediate Similarity 0.819 NPC477853
Intermediate Similarity 0.8173 NPC166906
Intermediate Similarity 0.8173 NPC477439
Intermediate Similarity 0.8173 NPC111015
Intermediate Similarity 0.8155 NPC154101
Intermediate Similarity 0.8151 NPC473255
Intermediate Similarity 0.8148 NPC477054
Intermediate Similarity 0.8142 NPC152117
Intermediate Similarity 0.8142 NPC234042
Intermediate Similarity 0.8137 NPC326627
Intermediate Similarity 0.8137 NPC305039
Intermediate Similarity 0.8137 NPC310010
Intermediate Similarity 0.8137 NPC475921
Intermediate Similarity 0.8137 NPC474704
Intermediate Similarity 0.8136 NPC222688
Intermediate Similarity 0.8131 NPC474720
Intermediate Similarity 0.8131 NPC83709
Intermediate Similarity 0.8131 NPC15390
Intermediate Similarity 0.8131 NPC472972
Intermediate Similarity 0.8125 NPC5284
Intermediate Similarity 0.812 NPC109973
Intermediate Similarity 0.8113 NPC107243
Intermediate Similarity 0.8113 NPC57416
Intermediate Similarity 0.8113 NPC473456
Intermediate Similarity 0.8113 NPC43747
Intermediate Similarity 0.8108 NPC177064
Intermediate Similarity 0.8108 NPC472825
Intermediate Similarity 0.8108 NPC469844
Intermediate Similarity 0.8108 NPC470269
Intermediate Similarity 0.8103 NPC329736
Intermediate Similarity 0.8095 NPC184848
Intermediate Similarity 0.8095 NPC69548
Intermediate Similarity 0.8091 NPC475571
Intermediate Similarity 0.8091 NPC60681
Intermediate Similarity 0.8091 NPC257353
Intermediate Similarity 0.8087 NPC49492
Intermediate Similarity 0.8087 NPC298278
Intermediate Similarity 0.8087 NPC266728
Intermediate Similarity 0.8077 NPC79117
Intermediate Similarity 0.8077 NPC294263
Intermediate Similarity 0.8073 NPC112009
Intermediate Similarity 0.8073 NPC236390
Intermediate Similarity 0.8073 NPC470839
Intermediate Similarity 0.8073 NPC179208
Intermediate Similarity 0.8073 NPC33973
Intermediate Similarity 0.8073 NPC111323
Intermediate Similarity 0.8073 NPC264048
Intermediate Similarity 0.8073 NPC191892
Intermediate Similarity 0.8073 NPC70967
Intermediate Similarity 0.807 NPC255017
Intermediate Similarity 0.807 NPC472926
Intermediate Similarity 0.8067 NPC473979
Intermediate Similarity 0.8058 NPC471896
Intermediate Similarity 0.8056 NPC474327
Intermediate Similarity 0.8053 NPC207689
Intermediate Similarity 0.8039 NPC328539
Intermediate Similarity 0.8037 NPC477813
Intermediate Similarity 0.8037 NPC222011
Intermediate Similarity 0.8037 NPC197386
Intermediate Similarity 0.8037 NPC176845
Intermediate Similarity 0.8036 NPC474901
Intermediate Similarity 0.8036 NPC475941
Intermediate Similarity 0.8034 NPC472933
Intermediate Similarity 0.8019 NPC192428
Intermediate Similarity 0.8019 NPC471153
Intermediate Similarity 0.8019 NPC471039
Intermediate Similarity 0.8019 NPC95565
Intermediate Similarity 0.8019 NPC249954
Intermediate Similarity 0.8019 NPC173272
Intermediate Similarity 0.8018 NPC83744
Intermediate Similarity 0.8018 NPC472925
Intermediate Similarity 0.8017 NPC243065
Intermediate Similarity 0.8017 NPC473265
Intermediate Similarity 0.8017 NPC476965
Intermediate Similarity 0.8017 NPC470882
Intermediate Similarity 0.8017 NPC470959
Intermediate Similarity 0.8017 NPC473253
Intermediate Similarity 0.8 NPC471293
Intermediate Similarity 0.8 NPC135854
Intermediate Similarity 0.8 NPC149124
Intermediate Similarity 0.8 NPC2436
Intermediate Similarity 0.8 NPC75531
Intermediate Similarity 0.8 NPC196485
Intermediate Similarity 0.8 NPC216245
Intermediate Similarity 0.8 NPC470953
Intermediate Similarity 0.8 NPC169751
Intermediate Similarity 0.8 NPC245972
Intermediate Similarity 0.8 NPC272635
Intermediate Similarity 0.8 NPC472227
Intermediate Similarity 0.8 NPC470251
Intermediate Similarity 0.8 NPC96268
Intermediate Similarity 0.8 NPC472228
Intermediate Similarity 0.8 NPC473798
Intermediate Similarity 0.8 NPC255309
Intermediate Similarity 0.7982 NPC473424
Intermediate Similarity 0.7982 NPC475970
Intermediate Similarity 0.7982 NPC195290
Intermediate Similarity 0.7982 NPC204450
Intermediate Similarity 0.7982 NPC185530
Intermediate Similarity 0.7982 NPC90769
Intermediate Similarity 0.7982 NPC473163
Intermediate Similarity 0.7982 NPC207251
Intermediate Similarity 0.7982 NPC477915
Intermediate Similarity 0.7981 NPC272746
Intermediate Similarity 0.7981 NPC218301
Intermediate Similarity 0.7981 NPC23434
Intermediate Similarity 0.7966 NPC79579
Intermediate Similarity 0.7966 NPC474370
Intermediate Similarity 0.7965 NPC239097
Intermediate Similarity 0.7965 NPC6206
Intermediate Similarity 0.7963 NPC154072

Drug Structure

External Identifiers

TTD   DAP001184
DrugBank  
ChEMBL  
IUPHAR/BPS   7068
PharmaGKB  
KEGG Drug  
PubChem CID   71414
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  494.21
ALogP  0.1811
MLogP  3.33
XLogP  2.118
HDA  7
HBD  1
Rotatable Bonds  14
TPSA  106.97
RO5 Violation  0