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NCID-ZINC01605713

 MMsINC code: MMs02257885
Type: Ionized
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-/m1/s1

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Potential Energy
Epot(MMFF94)=62.1404 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: 0.106124  Sterimol/B1: 3.07483  Sterimol/B2: 3.19008  Sterimol/B3: 4.194
  Sterimol/B4: 4.38701  Sterimol/L: 14.3839 
 
 Surface and Volume Properties
  Accessible surface: 484.329  Positive charged surface: 363.789  Negative charged surface: 120.54  Volume: 244.125
  Hydrophobic surface: 224.271  Hydrophilic surface: 260.058
 
 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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Parent related molecule:


MMs02257884
NCID-ZINC01605713