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CHEMDIV-ZINC06834542

 MMsINC code: MMs01045143
Type: Neutral
Formula: C16H13ClN2O3
SMILES:   Clc1cc(NC(=O)Cc2noc3c2cccc3)ccc1OC
InChI:   InChI=1/C16H13ClN2O3/c1-21-15-7-6-10(8-12(15)17)18-16(20)9-13-11-4-2-3-5-14(11)22-19-13/h2-8H,9H2,1H3,(H,18,20)

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Potential Energy
Epot(MMFF94)=80.4827 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 316.744 g/mol  logS: -4.84696  SlogP: 3.67097  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0903046  Sterimol/B1: 2.17379  Sterimol/B2: 4.04216  Sterimol/B3: 4.57761
  Sterimol/B4: 6.18766  Sterimol/L: 16.1509 
 
 Surface and Volume Properties
  Accessible surface: 545.448  Positive charged surface: 298.655  Negative charged surface: 243.361  Volume: 281.125
  Hydrophobic surface: 477.072  Hydrophilic surface: 68.376
 
 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.