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ASINEX-ZINC00136260

 MMsINC code: MMs00081115
Type: Neutral
Formula: C10H17NO2
SMILES:   O=C(NO)C12CC(CCC1)CCC2
InChI:   InChI=1/C10H17NO2/c12-9(11-13)10-5-1-3-8(7-10)4-2-6-10/h8,13H,1-7H2,(H,11,12)/t8-,10-

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Potential Energy
Epot(MMFF94)=61.5628 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 183.251 g/mol  logS: -2.65718  SlogP: 1.8523  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.310839  Sterimol/B1: 2.30872  Sterimol/B2: 2.51785  Sterimol/B3: 4.73109
  Sterimol/B4: 5.39145  Sterimol/L: 10.9211 
 
 Surface and Volume Properties
  Accessible surface: 364.839  Positive charged surface: 268.332  Negative charged surface: 96.5066  Volume: 182.875
  Hydrophobic surface: 257.263  Hydrophilic surface: 107.576
 
 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: no related molecules available.