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AURORAFEINCHEMIE-ZINC04028677

 MMsINC code: MMs00463023
Type: Neutral
Formula: C10H19NO
SMILES:   OC1CC(NC2C1CCCC2)C
InChI:   InChI=1/C10H19NO/c1-7-6-10(12)8-4-2-3-5-9(8)11-7/h7-12H,2-6H2,1H3/t7-,8+,9+,10+/m1/s1

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Potential Energy
Epot(MMFF94)=6.49129 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 169.268 g/mol  logS: -1.17846  SlogP: 1.2879  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.115889  Sterimol/B1: 2.75052  Sterimol/B2: 3.03212  Sterimol/B3: 3.07166
  Sterimol/B4: 5.86828  Sterimol/L: 11.1493 
 
 Surface and Volume Properties
  Accessible surface: 375.31  Positive charged surface: 304.709  Negative charged surface: 70.6008  Volume: 184.5
  Hydrophobic surface: 294.877  Hydrophilic surface: 80.433
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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


MMs00463024
AURORAFEINCHEMIE-ZINC04028677