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ENAMINE-ZINC05268965

 MMsINC code: MMs01606267
Type: Neutral
Formula: C15H9ClN2O4
SMILES:   Clc1ccc(N2NC(=O)c3c(cccc3)C2=O)cc1C(O)=O
InChI:   InChI=1/C15H9ClN2O4/c16-12-6-5-8(7-11(12)15(21)22)18-14(20)10-4-2-1-3-9(10)13(19)17-18/h1-7H,(H,17,19)(H,21,22)

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Potential Energy
Epot(MMFF94)=89.6188 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 316.7 g/mol  logS: -4.35946  SlogP: 2.3434  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0465511  Sterimol/B1: 2.92233  Sterimol/B2: 3.05159  Sterimol/B3: 4.23721
  Sterimol/B4: 4.92719  Sterimol/L: 15.3929 
 
 Surface and Volume Properties
  Accessible surface: 493.384  Positive charged surface: 237.106  Negative charged surface: 256.279  Volume: 257.875
  Hydrophobic surface: 312.629  Hydrophilic surface: 180.755
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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: 1
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Ions/Tautomers related molecules


MMs01606268
ENAMINE-ZINC05268965