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PUBCHEM-ZINC01999740

 MMsINC code: MMs02842085
Type: Neutral
Formula: C10H21NO2
SMILES:   O(C(=O)CCCN(CC)CC)CC
InChI:   InChI=1/C10H21NO2/c1-4-11(5-2)9-7-8-10(12)13-6-3/h4-9H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=13.8341 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 187.283 g/mol  logS: -0.96192  SlogP: 1.6715  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0483483  Sterimol/B1: 2.12875  Sterimol/B2: 2.53958  Sterimol/B3: 3.75753
  Sterimol/B4: 6.63448  Sterimol/L: 14.6654 
 
 Surface and Volume Properties
  Accessible surface: 460.35  Positive charged surface: 354.797  Negative charged surface: 105.553  Volume: 211.375
  Hydrophobic surface: 351.059  Hydrophilic surface: 109.291
 
 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


MMs02842086
PUBCHEM-ZINC01999740