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NCID-ZINC01720437

 MMsINC code: MMs02345459
Type: Neutral
Formula: C5H15N2+
SMILES:   [NH3+]C(CC(N)C)C
InChI:   InChI=1/C5H14N2/c1-4(6)3-5(2)7/h4-5H,3,6-7H2,1-2H3/p+1/t4-,5+

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Potential Energy
Epot(MMFF94)=-15.1071 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 103.189 g/mol  logS: 0.19494  SlogP: -0.6459  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.14227  Sterimol/B1: 2.55701  Sterimol/B2: 2.5899  Sterimol/B3: 3.08232
  Sterimol/B4: 4.11631  Sterimol/L: 9.84029 
 
 Surface and Volume Properties
  Accessible surface: 305.299  Positive charged surface: 259.784  Negative charged surface: 45.5149  Volume: 124.375
  Hydrophobic surface: 173.178  Hydrophilic surface: 132.121
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 1
  Chiral centers: 2
 
 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.