Drug Information

Drug ID:  NPD5222
Drug Name:  Desoximetasone
Molecular Formula:  C22H29FO4
Canonical SMILES:  OCC(=O)[C@H]1[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/C22H29FO4/c1-12-8-16-15-5-4-13-9-14(25)6-7-21(13,3)22(15,23)18(27)10-20(16,2)19(12)17(26)11-24/h6-7,9,12,15-16,18-19,24,27H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,18+,19-,20+,21+,22+/m1/s1
Standard InCHIKey:  VWVSBHGCDBMOOT-IIEHVVJPSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD5222

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 0.9551 NPC168027
High Similarity 0.9551 NPC185936
High Similarity 0.9255 NPC144956
High Similarity 0.9213 NPC328539
High Similarity 0.914 NPC192428
High Similarity 0.9043 NPC18509
High Similarity 0.8947 NPC114274
High Similarity 0.8925 NPC245972
High Similarity 0.8925 NPC196485
High Similarity 0.8913 NPC272746
High Similarity 0.8901 NPC86319
High Similarity 0.8901 NPC275740
High Similarity 0.89 NPC2766
High Similarity 0.8812 NPC235077
High Similarity 0.8791 NPC131470
High Similarity 0.8791 NPC143767
High Similarity 0.8778 NPC327115
High Similarity 0.8764 NPC237712
High Similarity 0.8737 NPC305483
High Similarity 0.8737 NPC249954
High Similarity 0.8737 NPC328162
High Similarity 0.8737 NPC96859
High Similarity 0.87 NPC44063
High Similarity 0.8696 NPC31985
High Similarity 0.8696 NPC1015
High Similarity 0.8696 NPC474245
High Similarity 0.8696 NPC119416
High Similarity 0.8681 NPC58063
High Similarity 0.8681 NPC475740
High Similarity 0.8667 NPC470574
High Similarity 0.8646 NPC108078
High Similarity 0.8632 NPC259286
High Similarity 0.8632 NPC280725
High Similarity 0.8617 NPC475255
High Similarity 0.8617 NPC12722
High Similarity 0.8617 NPC69454
High Similarity 0.8602 NPC183283
High Similarity 0.8602 NPC85173
High Similarity 0.8602 NPC126993
High Similarity 0.8602 NPC191684
High Similarity 0.8602 NPC129913
High Similarity 0.8587 NPC158778
High Similarity 0.8587 NPC471722
High Similarity 0.8586 NPC311612
High Similarity 0.8571 NPC51014
High Similarity 0.8571 NPC474732
High Similarity 0.8571 NPC145879
High Similarity 0.8571 NPC72133
High Similarity 0.8571 NPC31564
High Similarity 0.8571 NPC20688
High Similarity 0.8571 NPC474733
High Similarity 0.8571 NPC474778
High Similarity 0.8556 NPC214043
High Similarity 0.8556 NPC85774
High Similarity 0.8529 NPC214644
High Similarity 0.8526 NPC471207
High Similarity 0.8526 NPC8993
High Similarity 0.8526 NPC111015
High Similarity 0.8526 NPC166906
High Similarity 0.8515 NPC185
High Similarity 0.8511 NPC475806
High Similarity 0.8511 NPC473998
High Similarity 0.8511 NPC63748
High Similarity 0.8511 NPC99380
Intermediate Similarity 0.8495 NPC477943
Intermediate Similarity 0.8495 NPC473999
Intermediate Similarity 0.8495 NPC326627
Intermediate Similarity 0.8495 NPC186688
Intermediate Similarity 0.8495 NPC309603
Intermediate Similarity 0.8495 NPC310010
Intermediate Similarity 0.8485 NPC87351
Intermediate Similarity 0.8478 NPC93778
Intermediate Similarity 0.8478 NPC141292
Intermediate Similarity 0.8469 NPC15390
Intermediate Similarity 0.8462 NPC469948
Intermediate Similarity 0.8454 NPC43747
Intermediate Similarity 0.8438 NPC317586
Intermediate Similarity 0.8438 NPC473170
Intermediate Similarity 0.8438 NPC470016
Intermediate Similarity 0.8421 NPC472930
Intermediate Similarity 0.8421 NPC134826
Intermediate Similarity 0.8421 NPC474807
Intermediate Similarity 0.8404 NPC48010
Intermediate Similarity 0.84 NPC249187
Intermediate Similarity 0.84 NPC247957
Intermediate Similarity 0.8387 NPC53911
Intermediate Similarity 0.8387 NPC292491
Intermediate Similarity 0.8387 NPC471724
Intermediate Similarity 0.8387 NPC310752
Intermediate Similarity 0.8387 NPC474677
Intermediate Similarity 0.837 NPC222613
Intermediate Similarity 0.837 NPC475022
Intermediate Similarity 0.837 NPC118648
Intermediate Similarity 0.837 NPC94666
Intermediate Similarity 0.8367 NPC103051
Intermediate Similarity 0.8367 NPC147954
Intermediate Similarity 0.8352 NPC33913
Intermediate Similarity 0.8352 NPC473246
Intermediate Similarity 0.8352 NPC59453
Intermediate Similarity 0.8352 NPC329043
Intermediate Similarity 0.8352 NPC58841
Intermediate Similarity 0.8352 NPC161423
Intermediate Similarity 0.8352 NPC227064
Intermediate Similarity 0.8352 NPC321187
Intermediate Similarity 0.8352 NPC146683
Intermediate Similarity 0.8352 NPC472265
Intermediate Similarity 0.8352 NPC221758
Intermediate Similarity 0.8351 NPC49371
Intermediate Similarity 0.8333 NPC23170
Intermediate Similarity 0.8333 NPC475294
Intermediate Similarity 0.8333 NPC472925
Intermediate Similarity 0.8333 NPC151519
Intermediate Similarity 0.8333 NPC299100
Intermediate Similarity 0.8333 NPC48362
Intermediate Similarity 0.8317 NPC235889
Intermediate Similarity 0.8317 NPC137657
Intermediate Similarity 0.8316 NPC131872
Intermediate Similarity 0.8316 NPC19114
Intermediate Similarity 0.8316 NPC472978
Intermediate Similarity 0.8315 NPC472478
Intermediate Similarity 0.83 NPC473424
Intermediate Similarity 0.83 NPC477915
Intermediate Similarity 0.8298 NPC268406
Intermediate Similarity 0.8298 NPC76879
Intermediate Similarity 0.8298 NPC475921
Intermediate Similarity 0.8298 NPC474704
Intermediate Similarity 0.8298 NPC32830
Intermediate Similarity 0.8298 NPC472973
Intermediate Similarity 0.8298 NPC26959
Intermediate Similarity 0.8286 NPC71348
Intermediate Similarity 0.8283 NPC112167
Intermediate Similarity 0.8283 NPC474720
Intermediate Similarity 0.828 NPC142361
Intermediate Similarity 0.828 NPC136548
Intermediate Similarity 0.828 NPC153604
Intermediate Similarity 0.828 NPC174619
Intermediate Similarity 0.828 NPC474684
Intermediate Similarity 0.8265 NPC190554
Intermediate Similarity 0.8261 NPC197823
Intermediate Similarity 0.8252 NPC295244
Intermediate Similarity 0.8247 NPC180950
Intermediate Similarity 0.8247 NPC474602
Intermediate Similarity 0.8247 NPC271195
Intermediate Similarity 0.8242 NPC476082
Intermediate Similarity 0.8242 NPC278648
Intermediate Similarity 0.8242 NPC118800
Intermediate Similarity 0.8242 NPC64600
Intermediate Similarity 0.8235 NPC257353
Intermediate Similarity 0.8235 NPC181265
Intermediate Similarity 0.8229 NPC233118
Intermediate Similarity 0.8229 NPC477855
Intermediate Similarity 0.8229 NPC474736
Intermediate Similarity 0.8229 NPC109305
Intermediate Similarity 0.8218 NPC191892
Intermediate Similarity 0.8218 NPC111323
Intermediate Similarity 0.82 NPC302537
Intermediate Similarity 0.82 NPC476240
Intermediate Similarity 0.82 NPC224720
Intermediate Similarity 0.82 NPC476223
Intermediate Similarity 0.82 NPC81530
Intermediate Similarity 0.82 NPC163372
Intermediate Similarity 0.8191 NPC193360
Intermediate Similarity 0.8191 NPC474925
Intermediate Similarity 0.8182 NPC191565
Intermediate Similarity 0.8172 NPC34190
Intermediate Similarity 0.8172 NPC94755
Intermediate Similarity 0.8163 NPC117133
Intermediate Similarity 0.8163 NPC471463
Intermediate Similarity 0.8163 NPC5532
Intermediate Similarity 0.8163 NPC477853
Intermediate Similarity 0.8163 NPC61369
Intermediate Similarity 0.8163 NPC469545
Intermediate Similarity 0.8163 NPC250757
Intermediate Similarity 0.8163 NPC301534
Intermediate Similarity 0.8152 NPC82902
Intermediate Similarity 0.8152 NPC144258
Intermediate Similarity 0.8144 NPC473172
Intermediate Similarity 0.8144 NPC472977
Intermediate Similarity 0.8144 NPC472976
Intermediate Similarity 0.8144 NPC474690
Intermediate Similarity 0.8137 NPC209502
Intermediate Similarity 0.8137 NPC72255
Intermediate Similarity 0.8137 NPC204833
Intermediate Similarity 0.8132 NPC103486
Intermediate Similarity 0.8125 NPC233116
Intermediate Similarity 0.8125 NPC472975
Intermediate Similarity 0.8125 NPC86266
Intermediate Similarity 0.8125 NPC212301
Intermediate Similarity 0.8125 NPC110657
Intermediate Similarity 0.8125 NPC155304
Intermediate Similarity 0.8125 NPC189520
Intermediate Similarity 0.8119 NPC308726
Intermediate Similarity 0.8119 NPC136289
Intermediate Similarity 0.8119 NPC119601
Intermediate Similarity 0.8111 NPC476809
Intermediate Similarity 0.8111 NPC164999
Intermediate Similarity 0.8105 NPC123912
Intermediate Similarity 0.81 NPC110149
Intermediate Similarity 0.81 NPC157787
Intermediate Similarity 0.81 NPC316964

Drug Structure

External Identifiers

TTD   DAP001185
DrugBank   DB00547
ChEMBL   CHEMBL1766
IUPHAR/BPS   7067
PharmaGKB   PA164746011
KEGG Drug  
PubChem CID   5311067
ChEBI   691037
CAS Number  382-67-2

Drug Properties

Molecular Weight  376.20
ALogP  -0.3435
MLogP  3.33
XLogP  2.289
HDA  4
HBD  2
Rotatable Bonds  8
TPSA  74.6
RO5 Violation  0