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NCID-ZINC05049521

MMsINC code: MMs02433274

Type: Ionized
Formula: C6H14N3O+
SMILES:   O=C(NN)C1[NH2+]CCCC1
InChI:   InChI=1/C6H13N3O/c7-9-6(10)5-3-1-2-4-8-5/h5,8H,1-4,7H2,(H,9,10)/p+1/t5-/m0/s1

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Potential Energy
Epot(MMFF94)=38.025 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 144.198 g/mol  logS: -0.34573  SlogP: -1.9078  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.109704  Sterimol/B1: 2.38192  Sterimol/B2: 2.91677  Sterimol/B3: 2.97281
  Sterimol/B4: 4.86463  Sterimol/L: 11.1272 
 
 Surface and Volume Properties
  Accessible surface: 340.882  Positive charged surface: 270.715  Negative charged surface: 70.1671  Volume: 147.375
  Hydrophobic surface: 175.771  Hydrophilic surface: 165.111
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 1
  Chiral centers: 1
 
 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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MMs02433273
NCID-ZINC05049521