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MAYBRIDGE-ZINC00147028

 MMsINC code: MMs02140841
Type: Neutral
Formula: C14H10N2O3
SMILES:   Oc1cc(ccc1O)C=1NC(=O)c2c(N=1)cccc2
InChI:   InChI=1/C14H10N2O3/c17-11-6-5-8(7-12(11)18)13-15-10-4-2-1-3-9(10)14(19)16-13/h1-7,17-18H,(H,15,16,19)

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Potential Energy
Epot(MMFF94)=54.9369 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 254.245 g/mol  logS: -3.23545  SlogP: 1.9195  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00321618  Sterimol/B1: 2.11666  Sterimol/B2: 2.33625  Sterimol/B3: 3.84067
  Sterimol/B4: 5.10944  Sterimol/L: 14.7749 
 
 Surface and Volume Properties
  Accessible surface: 455.908  Positive charged surface: 252.677  Negative charged surface: 203.231  Volume: 225.875
  Hydrophobic surface: 283.156  Hydrophilic surface: 172.752
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.