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PUBCHEM-ZINC00391921

MMsINC code: MMs02672028

Type: Neutral
Formula: C15H14N2O4
SMILES:   O1c2c(ccc(NC(=O)C3NC(=O)CC3)c2)C(=CC1=O)C
InChI:   InChI=1/C15H14N2O4/c1-8-6-14(19)21-12-7-9(2-3-10(8)12)16-15(20)11-4-5-13(18)17-11/h2-3,6-7,11H,4-5H2,1H3,(H,16,20)(H,17,18)/t11-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=82.763 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.287 g/mol  logS: -3.70859  SlogP: 1.226  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0510435  Sterimol/B1: 2.99417  Sterimol/B2: 3.10955  Sterimol/B3: 3.76389
  Sterimol/B4: 6.40057  Sterimol/L: 15.0682 
 
 Surface and Volume Properties
  Accessible surface: 504.012  Positive charged surface: 293.575  Negative charged surface: 210.437  Volume: 257.25
  Hydrophobic surface: 319.812  Hydrophilic surface: 184.2
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.