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PUBCHEM-ZINC06482977

 MMsINC code: MMs03759360
Type: Ionized
Formula: C10H19NO2
SMILES:   O=C([O-])CC(C[N+](C)(C)C)C1CC1
InChI:   InChI=1/C10H19NO2/c1-11(2,3)7-9(6-10(12)13)8-4-5-8/h8-9H,4-7H2,1-3H3/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=26.3813 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 185.267 g/mol  logS: -0.8282  SlogP: -0.1412  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.241166  Sterimol/B1: 2.31466  Sterimol/B2: 4.18834  Sterimol/B3: 4.5854
  Sterimol/B4: 4.73548  Sterimol/L: 10.7933 
 
 Surface and Volume Properties
  Accessible surface: 389.158  Positive charged surface: 296.785  Negative charged surface: 92.3728  Volume: 204.75
  Hydrophobic surface: 233.742  Hydrophilic surface: 155.416
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 2  Basic groups: 1
  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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Parent related molecule:


MMs03759359
PUBCHEM-ZINC06482977