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ENAMINE-ZINC00154443

 MMsINC code: MMs01225778
Type: Neutral
Formula: C7H12ClNO
SMILES:   ClCC(=O)N1CCCCC1
InChI:   InChI=1/C7H12ClNO/c8-6-7(10)9-4-2-1-3-5-9/h1-6H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=18.8962 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 161.632 g/mol  logS: -1.17655  SlogP: 1.2377  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.153007  Sterimol/B1: 2.90382  Sterimol/B2: 3.15728  Sterimol/B3: 3.47037
  Sterimol/B4: 4.28921  Sterimol/L: 10.9495 
 
 Surface and Volume Properties
  Accessible surface: 340.123  Positive charged surface: 220.753  Negative charged surface: 119.37  Volume: 154.625
  Hydrophobic surface: 235.852  Hydrophilic surface: 104.271
 
 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.