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CHEMBRIDGE-ZINC02984097

 MMsINC code: MMs00745381
Type: Neutral
Formula: C16H16ClNO5
SMILES:   Clc1cc([N+](=O)[O-])ccc1OCCCOc1ccccc1OC
InChI:   InChI=1/C16H16ClNO5/c1-21-15-5-2-3-6-16(15)23-10-4-9-22-14-8-7-12(18(19)20)11-13(14)17/h2-3,5-8,11H,4,9-10H2,1H3

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Potential Energy
Epot(MMFF94)=99.0262 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 337.759 g/mol  logS: -5.05665  SlogP: 4.1047  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00690244  Sterimol/B1: 2.37727  Sterimol/B2: 2.37934  Sterimol/B3: 3.17241
  Sterimol/B4: 7.19028  Sterimol/L: 18.769 
 
 Surface and Volume Properties
  Accessible surface: 605.883  Positive charged surface: 329.539  Negative charged surface: 276.344  Volume: 298.375
  Hydrophobic surface: 507.763  Hydrophilic surface: 98.12
 
 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.