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PUBCHEM-ZINC05712648

 MMsINC code: MMs03355727
Type: Neutral
Formula: C10H21NO
SMILES:   O=C(NCCCC)C(CC)CC
InChI:   InChI=1/C10H21NO/c1-4-7-8-11-10(12)9(5-2)6-3/h9H,4-8H2,1-3H3,(H,11,12)

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Potential Energy
Epot(MMFF94)=8.60414 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 171.284 g/mol  logS: -2.24865  SlogP: 2.3389  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0518434  Sterimol/B1: 2.74528  Sterimol/B2: 3.23043  Sterimol/B3: 4.19897
  Sterimol/B4: 4.62913  Sterimol/L: 13.5316 
 
 Surface and Volume Properties
  Accessible surface: 435.968  Positive charged surface: 329.693  Negative charged surface: 106.275  Volume: 202.125
  Hydrophobic surface: 339.473  Hydrophilic surface: 96.495
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.