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NCID-ZINC01690889

 MMsINC code: MMs02323089
Type: Neutral
Formula: C10H23NO
SMILES:   OCCN(C(CCC)CC)CC
InChI:   InChI=1/C10H23NO/c1-4-7-10(5-2)11(6-3)8-9-12/h10,12H,4-9H2,1-3H3/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=50.4423 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 173.3 g/mol  logS: -1.18628  SlogP: 1.8793  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.522794  Sterimol/B1: 3.65077  Sterimol/B2: 4.08422  Sterimol/B3: 4.57864
  Sterimol/B4: 5.19265  Sterimol/L: 10.0958 
 
 Surface and Volume Properties
  Accessible surface: 404.859  Positive charged surface: 322.726  Negative charged surface: 82.133  Volume: 206.125
  Hydrophobic surface: 306.235  Hydrophilic surface: 98.624
 
 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


MMs02323090
NCID-ZINC01690889