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NCID-ZINC01654536

 MMsINC code: MMs02293225
Type: Neutral
Formula: C15H24O4
SMILES:   O1C2OC3(OC24C(CCC(C4CC3)C)C(C)C1O)C
InChI:   InChI=1/C15H24O4/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-15/h8-13,16H,4-7H2,1-3H3/t8-,9-,10-,11+,12-,13+,14-,15-/m0/s1

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Potential Energy
Epot(MMFF94)=82.4889 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.353 g/mol  logS: -2.94963  SlogP: 2.2551  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.26972  Sterimol/B1: 2.53744  Sterimol/B2: 3.34373  Sterimol/B3: 4.27495
  Sterimol/B4: 7.83775  Sterimol/L: 11.0626 
 
 Surface and Volume Properties
  Accessible surface: 434.823  Positive charged surface: 318.006  Negative charged surface: 116.817  Volume: 255.875
  Hydrophobic surface: 307.297  Hydrophilic surface: 127.526
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 8
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.