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IBS-ZINC04812980

 MMsINC code: MMs01896653
Type: Neutral
Formula: C11H18N4O3
SMILES:   O=C1N(C)C(=O)N(C)C(=O)C1=CNCCN(C)C
InChI:   InChI=1/C11H18N4O3/c1-13(2)6-5-12-7-8-9(16)14(3)11(18)15(4)10(8)17/h7,12H,5-6H2,1-4H3

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Potential Energy
Epot(MMFF94)=17.8333 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 254.29 g/mol  logS: -0.2628  SlogP: -0.9281  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0333695  Sterimol/B1: 2.70734  Sterimol/B2: 3.0325  Sterimol/B3: 3.38903
  Sterimol/B4: 6.45148  Sterimol/L: 15.2557 
 
 Surface and Volume Properties
  Accessible surface: 489.678  Positive charged surface: 408.584  Negative charged surface: 81.0936  Volume: 242.875
  Hydrophobic surface: 381.228  Hydrophilic surface: 108.45
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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


MMs01896654
IBS-ZINC04812980