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OAKWOOD-ZINC04290831

 MMsINC code: MMs02551446
Type: Neutral
Formula: C11H8ClNO4
SMILES:   Clc1ccc([N+](=O)[O-])cc1-c1oc(cc1)CO
InChI:   InChI=1/C11H8ClNO4/c12-10-3-1-7(13(15)16)5-9(10)11-4-2-8(6-14)17-11/h1-5,14H,6H2

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Potential Energy
Epot(MMFF94)=61.9144 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 253.641 g/mol  logS: -4.82717  SlogP: 3.2669  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.057813  Sterimol/B1: 2.82401  Sterimol/B2: 3.43944  Sterimol/B3: 4.66021
  Sterimol/B4: 5.21917  Sterimol/L: 13.4107 
 
 Surface and Volume Properties
  Accessible surface: 438.847  Positive charged surface: 193.062  Negative charged surface: 245.785  Volume: 208.25
  Hydrophobic surface: 281.26  Hydrophilic surface: 157.587
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.