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ASINEX-ZINC04992572

 MMsINC code: MMs00424659
Type: Neutral
Formula: C8H14ClNO
SMILES:   ClCC(=O)N1CCC(CC1)C
InChI:   InChI=1/C8H14ClNO/c1-7-2-4-10(5-3-7)8(11)6-9/h7H,2-6H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=23.3868 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 175.659 g/mol  logS: -1.69177  SlogP: 1.4837  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.131838  Sterimol/B1: 2.58311  Sterimol/B2: 3.22977  Sterimol/B3: 3.70431
  Sterimol/B4: 4.36831  Sterimol/L: 12.1059 
 
 Surface and Volume Properties
  Accessible surface: 367.795  Positive charged surface: 241.375  Negative charged surface: 126.42  Volume: 170.25
  Hydrophobic surface: 242.072  Hydrophilic surface: 125.723
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.