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PUBCHEM-ZINC06202496

 MMsINC code: MMs03610052
Type: Neutral
Formula: C10H15NO
SMILES:   O\N=C/1\C2CC(C2(C)C)C(=C\1)C
InChI:   InChI=1/C10H15NO/c1-6-4-9(11-12)8-5-7(6)10(8,2)3/h4,7-8,12H,5H2,1-3H3/b11-9-/t7-,8+/m0/s1

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Potential Energy
Epot(MMFF94)=63.2974 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 165.236 g/mol  logS: -2.1314  SlogP: 2.4388  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.402443  Sterimol/B1: 3.83471  Sterimol/B2: 3.83636  Sterimol/B3: 4.17226
  Sterimol/B4: 4.99664  Sterimol/L: 9.56978 
 
 Surface and Volume Properties
  Accessible surface: 366.721  Positive charged surface: 192.37  Negative charged surface: 105.196  Volume: 174.625
  Hydrophobic surface: 255.005  Hydrophilic surface: 111.716
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.