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ENAMINE-ZINC03337970

 MMsINC code: MMs01381088
Type: Neutral
Formula: C12H22N4O2
SMILES:   O=C1NC(=O)N(CCC)C(N)=C1NC(CC)CC
InChI:   InChI=1/C12H22N4O2/c1-4-7-16-10(13)9(11(17)15-12(16)18)14-8(5-2)6-3/h8,14H,4-7,13H2,1-3H3,(H,15,17,18)

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Potential Energy
Epot(MMFF94)=27.0547 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 254.334 g/mol  logS: -1.77261  SlogP: 0.8542  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.104264  Sterimol/B1: 3.41278  Sterimol/B2: 3.56999  Sterimol/B3: 3.71652
  Sterimol/B4: 5.50074  Sterimol/L: 14.1618 
 
 Surface and Volume Properties
  Accessible surface: 472.239  Positive charged surface: 347.63  Negative charged surface: 124.609  Volume: 256.375
  Hydrophobic surface: 275.807  Hydrophilic surface: 196.432
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.