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NCID-ZINC05082363

 MMsINC code: MMs02438029
Type: Neutral
Formula: C15H20N4O2
SMILES:   O=C1NC(=O)CC(C1)Cc1nc(nc2c1CC(CC2)C)N
InChI:   InChI=1/C15H20N4O2/c1-8-2-3-11-10(4-8)12(18-15(16)17-11)5-9-6-13(20)19-14(21)7-9/h8-9H,2-7H2,1H3,(H2,16,17,18)(H,19,20,21)/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=-1.02093 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.351 g/mol  logS: -2.95123  SlogP: 0.77881  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.125342  Sterimol/B1: 2.11903  Sterimol/B2: 3.78758  Sterimol/B3: 3.79761
  Sterimol/B4: 9.31904  Sterimol/L: 12.3836 
 
 Surface and Volume Properties
  Accessible surface: 511.179  Positive charged surface: 356.323  Negative charged surface: 154.857  Volume: 271
  Hydrophobic surface: 264.196  Hydrophilic surface: 246.983
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.