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CHEMBRIDGE-ZINC00145443

 MMsINC code: MMs00591602
Type: Neutral
Formula: C14H12ClNO3
SMILES:   Clc1cc(NC(Oc2ccccc2)=O)ccc1OC
InChI:   InChI=1/C14H12ClNO3/c1-18-13-8-7-10(9-12(13)15)16-14(17)19-11-5-3-2-4-6-11/h2-9H,1H3,(H,16,17)

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Potential Energy
Epot(MMFF94)=75.1826 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 277.707 g/mol  logS: -4.18079  SlogP: 3.9595  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0394217  Sterimol/B1: 2.68585  Sterimol/B2: 3.70119  Sterimol/B3: 4.1469
  Sterimol/B4: 4.88553  Sterimol/L: 16.4602 
 
 Surface and Volume Properties
  Accessible surface: 505.23  Positive charged surface: 280.285  Negative charged surface: 224.946  Volume: 247.375
  Hydrophobic surface: 443.687  Hydrophilic surface: 61.543
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.