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PUBCHEM-ZINC01002191

 MMsINC code: MMs02753995
Type: Neutral
Formula: C16H17ClN2O4
SMILES:   Clc1cc(NC(=O)Nc2cc(OC)c(OC)c(OC)c2)ccc1
InChI:   InChI=1/C16H17ClN2O4/c1-21-13-8-12(9-14(22-2)15(13)23-3)19-16(20)18-11-6-4-5-10(17)7-11/h4-9H,1-3H3,(H2,18,19,20)

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Potential Energy
Epot(MMFF94)=97.9983 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 336.775 g/mol  logS: -4.13748  SlogP: 4.0098  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0487483  Sterimol/B1: 1.969  Sterimol/B2: 3.94612  Sterimol/B3: 3.98819
  Sterimol/B4: 8.96146  Sterimol/L: 16.4467 
 
 Surface and Volume Properties
  Accessible surface: 592.383  Positive charged surface: 409.689  Negative charged surface: 182.694  Volume: 300.75
  Hydrophobic surface: 516.043  Hydrophilic surface: 76.34
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.