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NCID-ZINC05305023

 MMsINC code: MMs02450918
Type: Neutral
Formula: C10H19NO
SMILES:   OC1C2(CCC(C2(C)C)C1N)C
InChI:   InChI=1/C10H19NO/c1-9(2)6-4-5-10(9,3)8(12)7(6)11/h6-8,12H,4-5,11H2,1-3H3/t6-,7+,8+,10+/m0/s1

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Potential Energy
Epot(MMFF94)=84.3151 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 169.268 g/mol  logS: -1.36722  SlogP: 1.1307  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.55786  Sterimol/B1: 1.99141  Sterimol/B2: 3.52703  Sterimol/B3: 4.54684
  Sterimol/B4: 5.75252  Sterimol/L: 9.23678 
 
 Surface and Volume Properties
  Accessible surface: 354.121  Positive charged surface: 269.78  Negative charged surface: 84.3409  Volume: 185.25
  Hydrophobic surface: 221.129  Hydrophilic surface: 132.992
 
 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


MMs02450919
NCID-ZINC05305023