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PUBCHEM-ZINC05972843

 MMsINC code: MMs03468368
Type: Neutral
Formula: C11H21NO
SMILES:   O=C(CCC)C1CC(N)C(CC1)C
InChI:   InChI=1/C11H21NO/c1-3-4-11(13)9-6-5-8(2)10(12)7-9/h8-10H,3-7,12H2,1-2H3/t8-,9-,10-/m1/s1

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Potential Energy
Epot(MMFF94)=13.7211 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 183.295 g/mol  logS: -1.25177  SlogP: 2.1191  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0665868  Sterimol/B1: 2.72141  Sterimol/B2: 3.34987  Sterimol/B3: 3.70334
  Sterimol/B4: 4.32798  Sterimol/L: 13.8865 
 
 Surface and Volume Properties
  Accessible surface: 422.612  Positive charged surface: 325.704  Negative charged surface: 96.9076  Volume: 207.625
  Hydrophobic surface: 302.19  Hydrophilic surface: 120.422
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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


MMs03468369
PUBCHEM-ZINC05972843