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NCID-ZINC04775330

 MMsINC code: MMs02404063
Type: Neutral
Formula: C10H18N+
SMILES:   [NH3+]C1(C2CC(C=C1)C2(C)C)C
InChI:   InChI=1/C10H17N/c1-9(2)7-4-5-10(3,11)8(9)6-7/h4-5,7-8H,6,11H2,1-3H3/p+1/t7-,8+,10+/m1/s1

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Potential Energy
Epot(MMFF94)=35.3548 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 152.261 g/mol  logS: -1.96846  SlogP: 1.2191  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.40514  Sterimol/B1: 2.40354  Sterimol/B2: 3.82352  Sterimol/B3: 3.91793
  Sterimol/B4: 5.43551  Sterimol/L: 9.97453 
 
 Surface and Volume Properties
  Accessible surface: 352.289  Positive charged surface: 221.98  Negative charged surface: 62.8313  Volume: 179.25
  Hydrophobic surface: 240.675  Hydrophilic surface: 111.614
 
 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


MMs02404064
NCID-ZINC04775330