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NCID-ZINC05496859

 MMsINC code: MMs02468164
Type: Neutral
Formula: C10H21NO
SMILES:   O1CC(NC1CCCCC)(C)C
InChI:   InChI=1/C10H21NO/c1-4-5-6-7-9-11-10(2,3)8-12-9/h9,11H,4-8H2,1-3H3/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=10.8823 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 171.284 g/mol  logS: -2.25875  SlogP: 2.2912  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0685146  Sterimol/B1: 3.24795  Sterimol/B2: 3.25942  Sterimol/B3: 3.56295
  Sterimol/B4: 3.57646  Sterimol/L: 14.1553 
 
 Surface and Volume Properties
  Accessible surface: 425.485  Positive charged surface: 337.594  Negative charged surface: 87.8902  Volume: 200.375
  Hydrophobic surface: 340.168  Hydrophilic surface: 85.317
 
 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.