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PUBCHEM-ZINC06691910

 MMsINC code: MMs03839467
Type: Neutral
Formula: C7H14N2
SMILES:   NC1C2CC(N)C(C1)C2
InChI:   InChI=1/C7H14N2/c8-6-2-4-1-5(6)3-7(4)9/h4-7H,1-3,8-9H2/t4-,5-,6-,7-/m0/s1

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Potential Energy
Epot(MMFF94)=34.8427 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 126.203 g/mol  logS: -0.02891  SlogP: 0.0709  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.643729  Sterimol/B1: 2.11267  Sterimol/B2: 3.75185  Sterimol/B3: 3.80731
  Sterimol/B4: 5.30401  Sterimol/L: 7.72818 
 
 Surface and Volume Properties
  Accessible surface: 306.636  Positive charged surface: 264.605  Negative charged surface: 42.0311  Volume: 137.875
  Hydrophobic surface: 199.891  Hydrophilic surface: 106.745
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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


MMs03839468
PUBCHEM-ZINC06691910