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NCID-ZINC01694837

 MMsINC code: MMs02325962
Type: Neutral
Formula: C10H21NO2
SMILES:   O(CCC)CCN(C(=O)CC)CC
InChI:   InChI=1/C10H21NO2/c1-4-8-13-9-7-11(6-3)10(12)5-2/h4-9H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=19.3627 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 187.283 g/mol  logS: -0.86508  SlogP: 1.6715  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0949959  Sterimol/B1: 2.62117  Sterimol/B2: 4.02565  Sterimol/B3: 4.61819
  Sterimol/B4: 4.84578  Sterimol/L: 12.745 
 
 Surface and Volume Properties
  Accessible surface: 440.125  Positive charged surface: 348.384  Negative charged surface: 91.7413  Volume: 214.75
  Hydrophobic surface: 352.444  Hydrophilic surface: 87.681
 
 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.