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NCID-ZINC01688925

 MMsINC code: MMs02321527
Type: Neutral
Formula: C10H18N+
SMILES:   [NH3+]C1C2CC(C2(C)C)C(=C1)C
InChI:   InChI=1/C10H17N/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-9H,5,11H2,1-3H3/p+1/t7-,8+,9+/m0/s1

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Potential Energy
Epot(MMFF94)=27.9466 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 152.261 g/mol  logS: -1.97165  SlogP: 1.2191  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.421759  Sterimol/B1: 2.07437  Sterimol/B2: 3.5532  Sterimol/B3: 3.94279
  Sterimol/B4: 6.99427  Sterimol/L: 9.23852 
 
 Surface and Volume Properties
  Accessible surface: 365.258  Positive charged surface: 239.137  Negative charged surface: 61.6896  Volume: 177.375
  Hydrophobic surface: 260.818  Hydrophilic surface: 104.44
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 1
  Chiral centers: 3
 
 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


MMs02321528
NCID-ZINC01688925