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PUBCHEM-ZINC06216389

 MMsINC code: MMs03617430
Type: Neutral
Formula: C14H9ClN2O2
SMILES:   Clc1cccnc1N1C(=O)c2c(ccc(c2)C)C1=O
InChI:   InChI=1/C14H9ClN2O2/c1-8-4-5-9-10(7-8)14(19)17(13(9)18)12-11(15)3-2-6-16-12/h2-7H,1H3

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Potential Energy
Epot(MMFF94)=69.5603 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.691 g/mol  logS: -4.01992  SlogP: 2.84402  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0641942  Sterimol/B1: 3.0036  Sterimol/B2: 3.80969  Sterimol/B3: 4.62947
  Sterimol/B4: 5.18283  Sterimol/L: 14.8489 
 
 Surface and Volume Properties
  Accessible surface: 468.482  Positive charged surface: 231.253  Negative charged surface: 237.229  Volume: 237
  Hydrophobic surface: 382.269  Hydrophilic surface: 86.213
 
 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.