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NCID-ZINC01587472

 MMsINC code: MMs02243296
Type: Neutral
Formula: C10H18N4O2
SMILES:   O=C1NC2N(C(C)C)C(=O)NC2N1C(C)C
InChI:   InChI=1/C10H18N4O2/c1-5(2)13-7-8(12-9(13)15)14(6(3)4)10(16)11-7/h5-8H,1-4H3,(H,11,16)(H,12,15)/t7-,8+

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Potential Energy
Epot(MMFF94)=32.3813 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 226.28 g/mol  logS: -0.77412  SlogP: 0.5058  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.132759  Sterimol/B1: 2.47362  Sterimol/B2: 3.66474  Sterimol/B3: 4.37078
  Sterimol/B4: 4.53607  Sterimol/L: 12.8492 
 
 Surface and Volume Properties
  Accessible surface: 432.152  Positive charged surface: 298.873  Negative charged surface: 133.279  Volume: 220.125
  Hydrophobic surface: 230.336  Hydrophilic surface: 201.816
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: no related molecules available.