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ASINEX-ZINC03886345

 MMsINC code: MMs00291926
Type: Neutral
Formula: C6H8ClNO2
SMILES:   ClCC(=O)N1CCCC1=O
InChI:   InChI=1/C6H8ClNO2/c7-4-6(10)8-3-1-2-5(8)9/h1-4H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=10.2025 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 161.588 g/mol  logS: -1.04224  SlogP: 0.3742  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0899269  Sterimol/B1: 2.55491  Sterimol/B2: 2.90473  Sterimol/B3: 3.26329
  Sterimol/B4: 4.05054  Sterimol/L: 10.7666 
 
 Surface and Volume Properties
  Accessible surface: 324.491  Positive charged surface: 184.389  Negative charged surface: 140.102  Volume: 137.875
  Hydrophobic surface: 183.412  Hydrophilic surface: 141.079
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.