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CHEMBRIDGE-ZINC04964680

 MMsINC code: MMs00816104
Type: Neutral
Formula: C15H15N3O3
SMILES:   Oc1ccccc1\C=N/N1C(=O)C(C(=O)N)=C(C=C1C)C
InChI:   InChI=1/C15H15N3O3/c1-9-7-10(2)18(15(21)13(9)14(16)20)17-8-11-5-3-4-6-12(11)19/h3-8,19H,1-2H3,(H2,16,20)/b17-8-

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Potential Energy
Epot(MMFF94)=126.756 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 285.303 g/mol  logS: -3.15425  SlogP: 1.2739  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.273101  Sterimol/B1: 3.58651  Sterimol/B2: 4.30256  Sterimol/B3: 4.36523
  Sterimol/B4: 6.23379  Sterimol/L: 11.9449 
 
 Surface and Volume Properties
  Accessible surface: 475.965  Positive charged surface: 297.94  Negative charged surface: 178.025  Volume: 262.625
  Hydrophobic surface: 306.934  Hydrophilic surface: 169.031
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: no related molecules available.