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NCID-ZINC06041579

 MMsINC code: MMs02519773
Type: Neutral
Formula: C24H15ClO4
SMILES:   Clc1c2c3c(cc1)C(OC(=O)c3ccc2)(c1ccc(O)cc1)c1ccc(O)cc1
InChI:   InChI=1/C24H15ClO4/c25-21-13-12-20-22-18(21)2-1-3-19(22)23(28)29-24(20,14-4-8-16(26)9-5-14)15-6-10-17(27)11-7-15/h1-13,26-27H

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Potential Energy
Epot(MMFF94)=137.141 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 402.833 g/mol  logS: -7.31308  SlogP: 5.6782  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.328025  Sterimol/B1: 3.92372  Sterimol/B2: 3.9947  Sterimol/B3: 5.90763
  Sterimol/B4: 7.83429  Sterimol/L: 14.5224 
 
 Surface and Volume Properties
  Accessible surface: 602.093  Positive charged surface: 290.49  Negative charged surface: 302.948  Volume: 352.75
  Hydrophobic surface: 459.793  Hydrophilic surface: 142.3
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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: 0
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Ions/Tautomers related molecules: no related molecules available.