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APOLLO-ZINC02513525

 MMsINC code: MMs00052556
Type: Neutral
Formula: C12H10ClNO3
SMILES:   ClC(=O)c1c(noc1C)-c1ccc(OC)cc1
InChI:   InChI=1/C12H10ClNO3/c1-7-10(12(13)15)11(14-17-7)8-3-5-9(16-2)6-4-8/h3-6H,1-2H3

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Potential Energy
Epot(MMFF94)=70.1297 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 251.669 g/mol  logS: -3.91633  SlogP: 3.03762  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0316761  Sterimol/B1: 2.59419  Sterimol/B2: 3.64465  Sterimol/B3: 4.50049
  Sterimol/B4: 4.74445  Sterimol/L: 14.5163 
 
 Surface and Volume Properties
  Accessible surface: 443.333  Positive charged surface: 208.674  Negative charged surface: 234.659  Volume: 221.375
  Hydrophobic surface: 308.811  Hydrophilic surface: 134.522
 
 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.