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CHEMDIV-ZINC06919411

 MMsINC code: MMs01062873
Type: Neutral
Formula: C10H15N3O4
SMILES:   O=C1N(CC(O)=O)C(=O)NC12CCN(CC2)C
InChI:   InChI=1/C10H15N3O4/c1-12-4-2-10(3-5-12)8(16)13(6-7(14)15)9(17)11-10/h2-6H2,1H3,(H,11,17)(H,14,15)

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Potential Energy
Epot(MMFF94)=1.22876 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 241.247 g/mol  logS: -0.4806  SlogP: -0.9128  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.106042  Sterimol/B1: 3.36331  Sterimol/B2: 3.90889  Sterimol/B3: 4.02888
  Sterimol/B4: 4.12975  Sterimol/L: 13.8103 
 
 Surface and Volume Properties
  Accessible surface: 424.907  Positive charged surface: 308.733  Negative charged surface: 116.174  Volume: 211.75
  Hydrophobic surface: 237.113  Hydrophilic surface: 187.794
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.