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ASINEX-ZINC00910519

 MMsINC code: MMs00216389
Type: Neutral
Formula: C23H13Cl2NO5
SMILES:   Clc1cc(N2C(=O)c3c(ccc(c3)C(OCC(=O)c3ccccc3)=O)C2=O)ccc1Cl
InChI:   InChI=1/C23H13Cl2NO5/c24-18-9-7-15(11-19(18)25)26-21(28)16-8-6-14(10-17(16)22(26)29)23(30)31-12-20(27)13-4-2-1-3-5-13/h1-11H,12H2

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Potential Energy
Epot(MMFF94)=115.056 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 454.265 g/mol  logS: -7.70815  SlogP: 4.8337  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0010119  Sterimol/B1: 2.37494  Sterimol/B2: 2.37515  Sterimol/B3: 4.62903
  Sterimol/B4: 4.95584  Sterimol/L: 23.9776 
 
 Surface and Volume Properties
  Accessible surface: 694.53  Positive charged surface: 290.824  Negative charged surface: 403.707  Volume: 383.5
  Hydrophobic surface: 548.614  Hydrophilic surface: 145.916
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 0  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.