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NCID-ZINC04726997

 MMsINC code: MMs02398771
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)=28.9517 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: 0.496994  Sterimol/B1: 2.22254  Sterimol/B2: 3.45133  Sterimol/B3: 4.41796
  Sterimol/B4: 6.30134  Sterimol/L: 9.67649 
 
 Surface and Volume Properties
  Accessible surface: 360.991  Positive charged surface: 230.517  Negative charged surface: 59.2456  Volume: 177.25
  Hydrophobic surface: 265.111  Hydrophilic surface: 95.88
 
 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


MMs02398772
NCID-ZINC04726997