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NCID-ZINC05160190

 MMsINC code: MMs02445176
Type: Neutral
Formula: C23H30O6
SMILES:   O1C(\C=C(/C=C/C=C\C=C/C=2OC(=O)C=C(OC)C=2C)\C)(C)C(O)C(O)(C)
C1C
InChI:   InChI=1/C23H30O6/c1-15(14-22(4)21(25)23(5,26)17(3)29-22)11-9-7-8-10-12-18-16(2)19(27-6)13-20(24)28-18/h7-14,17,21,25-26H,1-6H3/b8-7-,11-9+,12-10-,15-14+/t17-,21-,22-,23-/m0/s1

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Potential Energy
Epot(MMFF94)=187.636 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 402.487 g/mol  logS: -6.12382  SlogP: 3.2517  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0447759  Sterimol/B1: 2.16142  Sterimol/B2: 3.79463  Sterimol/B3: 4.81199
  Sterimol/B4: 7.04627  Sterimol/L: 22.0655 
 
 Surface and Volume Properties
  Accessible surface: 705.661  Positive charged surface: 443.7  Negative charged surface: 261.961  Volume: 398.875
  Hydrophobic surface: 522.583  Hydrophilic surface: 183.078
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.