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NCID-ZINC01605691

 MMsINC code: MMs02257874
Type: Neutral
Formula: C23H38O4
SMILES:   OC=1C(CCC(C)C)(CCC(C)C)C(=O)C(CCC(C)C)=C(O)C=1C(=O)C
InChI:   InChI=1/C23H38O4/c1-14(2)8-9-18-20(25)19(17(7)24)22(27)23(21(18)26,12-10-15(3)4)13-11-16(5)6/h14-16,25,27H,8-13H2,1-7H3

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Potential Energy
Epot(MMFF94)=80.6943 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 378.553 g/mol  logS: -7.26388  SlogP: 6.0773  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.311622  Sterimol/B1: 2.61445  Sterimol/B2: 4.06892  Sterimol/B3: 6.20466
  Sterimol/B4: 10.1668  Sterimol/L: 15.4663 
 
 Surface and Volume Properties
  Accessible surface: 682.428  Positive charged surface: 466.526  Negative charged surface: 215.902  Volume: 407.375
  Hydrophobic surface: 470.565  Hydrophilic surface: 211.863
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.