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NCID-ZINC01605715

 MMsINC code: MMs02257888
Type: Neutral
Formula: C10H24N4O2+2
SMILES:   O=C(NNC(=O)C([NH3+])C(C)C)C([NH3+])C(C)C
InChI:   InChI=1/C10H22N4O2/c1-5(2)7(11)9(15)13-14-10(16)8(12)6(3)4/h5-8H,11-12H2,1-4H3,(H,13,15)(H,14,16)/p+2/t7-,8+

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Potential Energy
Epot(MMFF94)=59.6687 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 232.328 g/mol  logS: -0.84304  SlogP: -2.3332  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0628608  Sterimol/B1: 3.35751  Sterimol/B2: 3.62175  Sterimol/B3: 3.62852
  Sterimol/B4: 4.51002  Sterimol/L: 14.5746 
 
 Surface and Volume Properties
  Accessible surface: 494.031  Positive charged surface: 370.795  Negative charged surface: 123.236  Volume: 241.375
  Hydrophobic surface: 232.808  Hydrophilic surface: 261.223
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 2
  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.