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CHEMBRIDGE-ZINC00943247

MMsINC code: MMs00646596

Type: Neutral
Formula: C24H15NO6
SMILES:   O1c2cc(OC(=O)CCN3C(=O)c4c(cccc4)C3=O)ccc2-c2c(cccc2)C1=O
InChI:   InChI=1/C24H15NO6/c26-21(11-12-25-22(27)17-6-2-3-7-18(17)23(25)28)30-14-9-10-16-15-5-1-4-8-19(15)24(29)31-20(16)13-14/h1-10,13H,11-12H2

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=102.324 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 413.385 g/mol  logS: -7.26383  SlogP: 3.4779  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0124865  Sterimol/B1: 2.5556  Sterimol/B2: 2.91121  Sterimol/B3: 3.53092
  Sterimol/B4: 6.16417  Sterimol/L: 22.2109 
 
 Surface and Volume Properties
  Accessible surface: 673.946  Positive charged surface: 341.431  Negative charged surface: 322.079  Volume: 364.5
  Hydrophobic surface: 501.813  Hydrophilic surface: 172.133
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.