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OTAVA-ZINC05375242

 MMsINC code: MMs02595205
Type: Neutral
Formula: C15H12Cl2N2O3
SMILES:   Clc1cc(NC(=O)Nc2cc(ccc2C)C(O)=O)ccc1Cl
InChI:   InChI=1/C15H12Cl2N2O3/c1-8-2-3-9(14(20)21)6-13(8)19-15(22)18-10-4-5-11(16)12(17)7-10/h2-7H,1H3,(H,20,21)(H2,18,19,22)

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Potential Energy
Epot(MMFF94)=64.769 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 339.178 g/mol  logS: -4.8505  SlogP: 4.64402  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0467759  Sterimol/B1: 2.00733  Sterimol/B2: 3.06948  Sterimol/B3: 4.03165
  Sterimol/B4: 8.5533  Sterimol/L: 15.5244 
 
 Surface and Volume Properties
  Accessible surface: 543.214  Positive charged surface: 251.173  Negative charged surface: 292.041  Volume: 283.125
  Hydrophobic surface: 399.748  Hydrophilic surface: 143.466
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs02595206
OTAVA-ZINC05375242