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NCID-ZINC00480098

 MMsINC code: MMs02217167
Type: Neutral
Formula: C14H9Cl2NO2
SMILES:   Clc1ccc(cc1)CN1c2cc(Cl)ccc2OC1=O
InChI:   InChI=1/C14H9Cl2NO2/c15-10-3-1-9(2-4-10)8-17-12-7-11(16)5-6-13(12)19-14(17)18/h1-7H,8H2

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Potential Energy
Epot(MMFF94)=48.2947 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 294.137 g/mol  logS: -5.29285  SlogP: 4.7788  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.126752  Sterimol/B1: 3.65316  Sterimol/B2: 3.90184  Sterimol/B3: 4.072
  Sterimol/B4: 6.08772  Sterimol/L: 13.351 
 
 Surface and Volume Properties
  Accessible surface: 472.282  Positive charged surface: 188.653  Negative charged surface: 283.629  Volume: 249
  Hydrophobic surface: 401.049  Hydrophilic surface: 71.233
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.