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ASINEX-ZINC00339820

 MMsINC code: MMs00120826
Type: Neutral
Formula: C10H18N4O2
SMILES:   O=C1N(C2N(CC)C(=O)NC2N1CC)CC
InChI:   InChI=1/C10H18N4O2/c1-4-12-7-8(14(6-3)10(12)16)13(5-2)9(15)11-7/h7-8H,4-6H2,1-3H3,(H,11,15)/t7-,8-/m1/s1

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Potential Energy
Epot(MMFF94)=33.4104 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 226.28 g/mol  logS: -0.34092  SlogP: 0.4611  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.170747  Sterimol/B1: 2.37386  Sterimol/B2: 4.44079  Sterimol/B3: 5.0068
  Sterimol/B4: 5.33019  Sterimol/L: 11.7541 
 
 Surface and Volume Properties
  Accessible surface: 427.635  Positive charged surface: 308.52  Negative charged surface: 119.115  Volume: 218.5
  Hydrophobic surface: 265.882  Hydrophilic surface: 161.753
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.