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NCID-ZINC01753597

 MMsINC code: MMs02363399
Type: Neutral
Formula: C15H14ClNO4
SMILES:   Clc1cc(OC)c(NC(Oc2ccc(OC)cc2)=O)cc1
InChI:   InChI=1/C15H14ClNO4/c1-19-11-4-6-12(7-5-11)21-15(18)17-13-8-3-10(16)9-14(13)20-2/h3-9H,1-2H3,(H,17,18)

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Potential Energy
Epot(MMFF94)=85.7486 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 307.733 g/mol  logS: -4.23117  SlogP: 3.9681  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0695484  Sterimol/B1: 2.03861  Sterimol/B2: 4.73309  Sterimol/B3: 5.01212
  Sterimol/B4: 5.51631  Sterimol/L: 16.6959 
 
 Surface and Volume Properties
  Accessible surface: 553.702  Positive charged surface: 342.34  Negative charged surface: 211.362  Volume: 273.75
  Hydrophobic surface: 485.341  Hydrophilic surface: 68.361
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.