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ENAMINE-ZINC03546084

 MMsINC code: MMs01500887
Type: Neutral
Formula: C11H14N4O5
SMILES:   O=C1N(C2CCCC2)C(=O)N(CC(=O)NC(=O)N)C1=O
InChI:   InChI=1/C11H14N4O5/c12-10(19)13-7(16)5-14-8(17)9(18)15(11(14)20)6-3-1-2-4-6/h6H,1-5H2,(H3,12,13,16,19)

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Potential Energy
Epot(MMFF94)=-4.94582 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.256 g/mol  logS: -1.77882  SlogP: -1.0853  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0628212  Sterimol/B1: 3.05504  Sterimol/B2: 3.73467  Sterimol/B3: 3.75358
  Sterimol/B4: 4.40172  Sterimol/L: 15.6581 
 
 Surface and Volume Properties
  Accessible surface: 483.103  Positive charged surface: 306.82  Negative charged surface: 176.282  Volume: 236.5
  Hydrophobic surface: 213.211  Hydrophilic surface: 269.892
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.