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NCID-ZINC04803624

 MMsINC code: MMs02408080
Type: Neutral
Formula: C6H10ClNO2
SMILES:   ClC(CN1CCOC1=O)C
InChI:   InChI=1/C6H10ClNO2/c1-5(7)4-8-2-3-10-6(8)9/h5H,2-4H2,1H3/t5-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=12.0212 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 163.604 g/mol  logS: -0.97527  SlogP: 1.4858  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.12243  Sterimol/B1: 3.03712  Sterimol/B2: 3.11284  Sterimol/B3: 3.59599
  Sterimol/B4: 4.39323  Sterimol/L: 10.3727 
 
 Surface and Volume Properties
  Accessible surface: 332.25  Positive charged surface: 213.686  Negative charged surface: 118.563  Volume: 144.375
  Hydrophobic surface: 194.045  Hydrophilic surface: 138.205
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.