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ENAMINE-ZINC05112837

 MMsINC code: MMs01587813
Type: Neutral
Formula: C15H10ClNO6
SMILES:   Clc1cc([N+](=O)[O-])c(cc1)C(OCc1cc2OCOc2cc1)=O
InChI:   InChI=1/C15H10ClNO6/c16-10-2-3-11(12(6-10)17(19)20)15(18)21-7-9-1-4-13-14(5-9)23-8-22-13/h1-6H,7-8H2

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Potential Energy
Epot(MMFF94)=83.2396 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 335.699 g/mol  logS: -5.01413  SlogP: 3.6003  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0919511  Sterimol/B1: 2.66024  Sterimol/B2: 3.48222  Sterimol/B3: 5.27237
  Sterimol/B4: 5.82637  Sterimol/L: 16.4636 
 
 Surface and Volume Properties
  Accessible surface: 538.558  Positive charged surface: 255.147  Negative charged surface: 283.411  Volume: 272.625
  Hydrophobic surface: 382.008  Hydrophilic surface: 156.55
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: no related molecules available.