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CHEMSTAR-ZINC03158965

 MMsINC code: MMs01084840
Type: Neutral
Formula: C11H17N3O4
SMILES:   O=C1N(C)C(=O)NC(NCCCCCC(O)=O)=C1
InChI:   InChI=1/C11H17N3O4/c1-14-9(15)7-8(13-11(14)18)12-6-4-2-3-5-10(16)17/h7,12H,2-6H2,1H3,(H,13,18)(H,16,17)

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Potential Energy
Epot(MMFF94)=-29.1711 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 255.274 g/mol  logS: -0.91183  SlogP: 0.244  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0141219  Sterimol/B1: 2.37783  Sterimol/B2: 2.51316  Sterimol/B3: 3.37488
  Sterimol/B4: 4.75658  Sterimol/L: 18.0466 
 
 Surface and Volume Properties
  Accessible surface: 507.39  Positive charged surface: 359.236  Negative charged surface: 148.154  Volume: 234.125
  Hydrophobic surface: 271.654  Hydrophilic surface: 235.736
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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


MMs01084841
CHEMSTAR-ZINC03158965