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CHEMBLOCK-ZINC04343060

 MMsINC code: MMs00547770
Type: Neutral
Formula: C10H19NO
SMILES:   O=C1CC(N(CC1C)C(C)C)C
InChI:   InChI=1/C10H19NO/c1-7(2)11-6-8(3)10(12)5-9(11)4/h7-9H,5-6H2,1-4H3/t8-,9+/m1/s1

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Potential Energy
Epot(MMFF94)=26.6537 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 169.268 g/mol  logS: -0.91586  SlogP: 1.6942  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.223224  Sterimol/B1: 2.50366  Sterimol/B2: 3.34396  Sterimol/B3: 3.58852
  Sterimol/B4: 6.24923  Sterimol/L: 9.96828 
 
 Surface and Volume Properties
  Accessible surface: 378.483  Positive charged surface: 266.89  Negative charged surface: 111.592  Volume: 189.625
  Hydrophobic surface: 264.965  Hydrophilic surface: 113.518
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs00547771
CHEMBLOCK-ZINC04343060