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NCID-ZINC05084705

 MMsINC code: MMs02438459
Type: Neutral
Formula: C10H21NO
SMILES:   O1CCNC1(CCCCCC)C
InChI:   InChI=1/C10H21NO/c1-3-4-5-6-7-10(2)11-8-9-12-10/h11H,3-9H2,1-2H3/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=12.0797 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 171.284 g/mol  logS: -2.62199  SlogP: 2.2928  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0767907  Sterimol/B1: 3.01838  Sterimol/B2: 3.5858  Sterimol/B3: 3.75662
  Sterimol/B4: 3.76985  Sterimol/L: 14.3277 
 
 Surface and Volume Properties
  Accessible surface: 422.242  Positive charged surface: 350.429  Negative charged surface: 71.8129  Volume: 199.25
  Hydrophobic surface: 350.542  Hydrophilic surface: 71.7
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.