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PUBCHEM-ZINC06322363

 MMsINC code: MMs03674372
Type: Ionized
Formula: C14H7ClNO3-
SMILES:   Clc1ccc(cc1)-c1onc2c1ccc(c2)C(=O)[O-]
InChI:   InChI=1/C14H8ClNO3/c15-10-4-1-8(2-5-10)13-11-6-3-9(14(17)18)7-12(11)16-19-13/h1-7H,(H,17,18)/p-1

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Potential Energy
Epot(MMFF94)=55.8408 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.667 g/mol  logS: -5.23723  SlogP: 2.5117  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0264623  Sterimol/B1: 2.19781  Sterimol/B2: 3.18979  Sterimol/B3: 3.21055
  Sterimol/B4: 4.95033  Sterimol/L: 15.7936 
 
 Surface and Volume Properties
  Accessible surface: 456.813  Positive charged surface: 163.037  Negative charged surface: 288.722  Volume: 231.375
  Hydrophobic surface: 328.936  Hydrophilic surface: 127.877
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 2  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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Parent related molecule:


MMs03674371
PUBCHEM-ZINC06322363