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PUBCHEM-ZINC03641077

 MMsINC code: MMs03031252
Type: Neutral
Formula: C10H16N4O5
SMILES:   OC(=O)C(NC(=O)C(N)C)CNC(=O)\C=C\C(=O)N
InChI:   InChI=1/C10H16N4O5/c1-5(11)9(17)14-6(10(18)19)4-13-8(16)3-2-7(12)15/h2-3,5-6H,4,11H2,1H3,(H2,12,15)(H,13,16)(H,14,17)(H,18,19)/b3-2+/t5-,6-/m0/s1

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Potential Energy
Epot(MMFF94)=28.1505 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.261 g/mol  logS: -0.73447  SlogP: -2.9393  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0492626  Sterimol/B1: 2.26825  Sterimol/B2: 3.29165  Sterimol/B3: 4.47831
  Sterimol/B4: 7.42197  Sterimol/L: 15.1468 
 
 Surface and Volume Properties
  Accessible surface: 513.811  Positive charged surface: 323.988  Negative charged surface: 189.824  Volume: 239.5
  Hydrophobic surface: 160.047  Hydrophilic surface: 353.764
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 6  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.