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SIAL-ZINC00400522

 MMsINC code: MMs03912507
Type: Neutral
Formula: C10H17NO
SMILES:   O=C(N)C12CCC(CC1)C2(C)C
InChI:   InChI=1/C10H17NO/c1-9(2)7-3-5-10(9,6-4-7)8(11)12/h7H,3-6H2,1-2H3,(H2,11,12)/t7-,10+

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Potential Energy
Epot(MMFF94)=56.0588 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 167.252 g/mol  logS: -2.85379  SlogP: 1.6881  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.634944  Sterimol/B1: 2.29895  Sterimol/B2: 2.36753  Sterimol/B3: 4.91667
  Sterimol/B4: 5.40776  Sterimol/L: 9.46682 
 
 Surface and Volume Properties
  Accessible surface: 346.008  Positive charged surface: 246.068  Negative charged surface: 99.9399  Volume: 175.5
  Hydrophobic surface: 229.858  Hydrophilic surface: 116.15
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.