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NCID-ZINC01621583

 MMsINC code: MMs02269461
Type: Neutral
Formula: C10H19ClN2O
SMILES:   ClCCNC(=O)NC1(CCCCC1)C
InChI:   InChI=1/C10H19ClN2O/c1-10(5-3-2-4-6-10)13-9(14)12-8-7-11/h2-8H2,1H3,(H2,12,13,14)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=2.87894 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 218.728 g/mol  logS: -2.16796  SlogP: 2.2472  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.158172  Sterimol/B1: 1.969  Sterimol/B2: 3.48244  Sterimol/B3: 3.76947
  Sterimol/B4: 6.50291  Sterimol/L: 13.5291 
 
 Surface and Volume Properties
  Accessible surface: 438.27  Positive charged surface: 296.896  Negative charged surface: 141.374  Volume: 215.25
  Hydrophobic surface: 306.777  Hydrophilic surface: 131.493
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.