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CHEMDIV-ZINC00077249

 MMsINC code: MMs00830989
Type: Ionized
Formula: C10H15N4O4-
SMILES:   O=C1N(C2N(CCCC(=O)[O-])C(=O)NC2N1C)C
InChI:   InChI=1/C10H16N4O4/c1-12-7-8(13(2)10(12)18)14(9(17)11-7)5-3-4-6(15)16/h7-8H,3-5H2,1-2H3,(H,11,17)(H,15,16)/p-1/t7-,8-/m0/s1

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Potential Energy
Epot(MMFF94)=-29.0507 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 255.254 g/mol  logS: 0.30073  SlogP: -1.8089  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0968314  Sterimol/B1: 3.50581  Sterimol/B2: 3.54088  Sterimol/B3: 4.56146
  Sterimol/B4: 4.86096  Sterimol/L: 14.3569 
 
 Surface and Volume Properties
  Accessible surface: 452.572  Positive charged surface: 314.121  Negative charged surface: 138.452  Volume: 226
  Hydrophobic surface: 236.656  Hydrophilic surface: 215.916
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 2  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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Parent related molecule:


MMs00830988
CHEMDIV-ZINC00077249