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SIAL-ZINC04533757

 MMsINC code: MMs03918850
Type: Neutral
Formula: C10H19N5O5
SMILES:   OC(=O)C(NC(=O)C(N)CCCNC(N)=N)CC(O)=O
InChI:   InChI=1/C10H19N5O5/c11-5(2-1-3-14-10(12)13)8(18)15-6(9(19)20)4-7(16)17/h5-6H,1-4,11H2,(H,15,18)(H,16,17)(H,19,20)(H4,12,13,14)/t5-,6+/m1/s1

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Potential Energy
Epot(MMFF94)=-7.59909 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 289.292 g/mol  logS: -0.05215  SlogP: -2.37893  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0443471  Sterimol/B1: 2.73006  Sterimol/B2: 3.45568  Sterimol/B3: 3.99817
  Sterimol/B4: 6.60148  Sterimol/L: 16.5077 
 
 Surface and Volume Properties
  Accessible surface: 527.782  Positive charged surface: 358.579  Negative charged surface: 169.203  Volume: 254.625
  Hydrophobic surface: 128.968  Hydrophilic surface: 398.814
 
 Pharmacophoric Properties
  Hydrogen bond donors: 9  Hydrogen bond acceptors: 7  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.