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NCID-ZINC05566897

 MMsINC code: MMs02475746
Type: Neutral
Formula: C6H10ClNO
SMILES:   ClC1CCCCNC1=O
InChI:   InChI=1/C6H10ClNO/c7-5-3-1-2-4-8-6(5)9/h5H,1-4H2,(H,8,9)/t5-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=20.5826 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 147.605 g/mol  logS: -1.28254  SlogP: 1.3138  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.293049  Sterimol/B1: 2.42715  Sterimol/B2: 2.926  Sterimol/B3: 2.93964
  Sterimol/B4: 5.34622  Sterimol/L: 9.24912 
 
 Surface and Volume Properties
  Accessible surface: 303.312  Positive charged surface: 185.635  Negative charged surface: 117.677  Volume: 134.375
  Hydrophobic surface: 173.288  Hydrophilic surface: 130.024
 
 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.