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NCID-ZINC01605714

 MMsINC code: MMs02257886
Type: Neutral
Formula: C10H22N4O2
SMILES:   O=C(NNC(=O)C(N)C(C)C)C(N)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)/t7-,8-/m0/s1

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Potential Energy
Epot(MMFF94)=74.9545 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.312 g/mol  logS: -0.89182  SlogP: -0.8996  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0976006  Sterimol/B1: 2.42323  Sterimol/B2: 3.42479  Sterimol/B3: 4.16069
  Sterimol/B4: 4.55836  Sterimol/L: 14.1711 
 
 Surface and Volume Properties
  Accessible surface: 480.007  Positive charged surface: 337.995  Negative charged surface: 142.012  Volume: 236.375
  Hydrophobic surface: 230.892  Hydrophilic surface: 249.115
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  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


MMs02257887
NCID-ZINC01605714