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PUBCHEM-ZINC05726194

 MMsINC code: MMs03360499
Type: Neutral
Formula: C9H10ClNO
SMILES:   Clc1ccccc1CNC(=O)C
InChI:   InChI=1/C9H10ClNO/c1-7(12)11-6-8-4-2-3-5-9(8)10/h2-5H,6H2,1H3,(H,11,12)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=15.9926 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 183.638 g/mol  logS: -2.27266  SlogP: 2.2425  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.100441  Sterimol/B1: 2.17258  Sterimol/B2: 4.01645  Sterimol/B3: 4.14999
  Sterimol/B4: 4.1756  Sterimol/L: 12.1306 
 
 Surface and Volume Properties
  Accessible surface: 379.708  Positive charged surface: 196.702  Negative charged surface: 183.006  Volume: 174.375
  Hydrophobic surface: 323.188  Hydrophilic surface: 56.52
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.