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ENAMINE-ZINC03504976

 MMsINC code: MMs01479173
Type: Neutral
Formula: C14H10ClNO7
SMILES:   Clc1ccc(cc1[N+](=O)[O-])C(OCc1oc(cc1)C(OC)=O)=O
InChI:   InChI=1/C14H10ClNO7/c1-21-14(18)12-5-3-9(23-12)7-22-13(17)8-2-4-10(15)11(6-8)16(19)20/h2-6H,7H2,1H3

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Potential Energy
Epot(MMFF94)=78.7707 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 339.687 g/mol  logS: -5.34525  SlogP: 3.2512  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0622486  Sterimol/B1: 2.41725  Sterimol/B2: 2.65914  Sterimol/B3: 4.87458
  Sterimol/B4: 6.21495  Sterimol/L: 17.8981 
 
 Surface and Volume Properties
  Accessible surface: 564.532  Positive charged surface: 274.568  Negative charged surface: 289.965  Volume: 275.125
  Hydrophobic surface: 388.042  Hydrophilic surface: 176.49
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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: no related molecules available.