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CHEMBLOCK-ZINC01445435

 MMsINC code: MMs00527993
Type: Neutral
Formula: C25H15NO4
SMILES:   O=C1N(c2ccccc2C(O)=O)C(=O)c2c1c(c1c(c2)cccc1)-c1ccccc1
InChI:   InChI=1/C25H15NO4/c27-23-19-14-16-10-4-5-11-17(16)21(15-8-2-1-3-9-15)22(19)24(28)26(23)20-13-7-6-12-18(20)25(29)30/h1-14H,(H,29,30)

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Potential Energy
Epot(MMFF94)=119.934 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 393.398 g/mol  logS: -8.03225  SlogP: 5.0056  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.134842  Sterimol/B1: 2.53873  Sterimol/B2: 4.42098  Sterimol/B3: 5.15709
  Sterimol/B4: 10.0178  Sterimol/L: 16.0759 
 
 Surface and Volume Properties
  Accessible surface: 620.931  Positive charged surface: 321.556  Negative charged surface: 287.744  Volume: 360
  Hydrophobic surface: 494.61  Hydrophilic surface: 126.321
 
 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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules


MMs00527994
CHEMBLOCK-ZINC01445435