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ENAMINE-ZINC06650997

 MMsINC code: MMs01691839
Type: Neutral
Formula: C10H21NO
SMILES:   OC1CCC(NCC(C)C)CC1
InChI:   InChI=1/C10H21NO/c1-8(2)7-11-9-3-5-10(12)6-4-9/h8-12H,3-7H2,1-2H3/t9-,10-

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Potential Energy
Epot(MMFF94)=11.2656 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 171.284 g/mol  logS: -0.84161  SlogP: 1.5355  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.113582  Sterimol/B1: 2.20827  Sterimol/B2: 3.25334  Sterimol/B3: 4.39199
  Sterimol/B4: 4.6664  Sterimol/L: 13.2328 
 
 Surface and Volume Properties
  Accessible surface: 405.913  Positive charged surface: 318.491  Negative charged surface: 87.4218  Volume: 196.5
  Hydrophobic surface: 307.915  Hydrophilic surface: 97.998
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs01691840
ENAMINE-ZINC06650997