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NCID-ZINC01711932

 MMsINC code: MMs02338808
Type: Neutral
Formula: C9H10ClNO
SMILES:   ClC(Cc1ccccc1)C(=O)N
InChI:   InChI=1/C9H10ClNO/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,11,12)/t8-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=33.8076 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 183.638 g/mol  logS: -2.46375  SlogP: 1.74167  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.078568  Sterimol/B1: 3.18554  Sterimol/B2: 3.34876  Sterimol/B3: 3.57526
  Sterimol/B4: 3.91701  Sterimol/L: 12.068 
 
 Surface and Volume Properties
  Accessible surface: 372.832  Positive charged surface: 190.083  Negative charged surface: 182.749  Volume: 170.125
  Hydrophobic surface: 216.732  Hydrophilic surface: 156.1
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.