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CHEMBRIDGE-ZINC02831374

 MMsINC code: MMs00722025
Type: Neutral
Formula: C9H18ClNO
SMILES:   ClCCCCCCCCC(=O)N
InChI:   InChI=1/C9H18ClNO/c10-8-6-4-2-1-3-5-7-9(11)12/h1-8H2,(H2,11,12)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-1.03455 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 191.702 g/mol  logS: -2.66727  SlogP: 2.4412  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0300873  Sterimol/B1: 2.375  Sterimol/B2: 2.37607  Sterimol/B3: 2.98848
  Sterimol/B4: 3.14864  Sterimol/L: 16.8041 
 
 Surface and Volume Properties
  Accessible surface: 439.25  Positive charged surface: 304.475  Negative charged surface: 134.775  Volume: 198
  Hydrophobic surface: 261.79  Hydrophilic surface: 177.46
 
 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.