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AURORAFEINCHEMIE-ZINC06779997

 MMsINC code: MMs00481649
Type: Neutral
Formula: C24H20N2O4
SMILES:   O1c2cc(ccc2OC1)CNC(=O)C(N1Cc2c(cccc2)C1=O)c1ccccc1
InChI:   InChI=1/C24H20N2O4/c27-23(25-13-16-10-11-20-21(12-16)30-15-29-20)22(17-6-2-1-3-7-17)26-14-18-8-4-5-9-19(18)24(26)28/h1-12,22H,13-15H2,(H,25,27)/t22-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=111.695 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 400.434 g/mol  logS: -5.21089  SlogP: 4.0571  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0833584  Sterimol/B1: 2.53064  Sterimol/B2: 3.89943  Sterimol/B3: 4.32179
  Sterimol/B4: 8.52239  Sterimol/L: 19.3145 
 
 Surface and Volume Properties
  Accessible surface: 674.582  Positive charged surface: 401.744  Negative charged surface: 272.839  Volume: 375.75
  Hydrophobic surface: 543.293  Hydrophilic surface: 131.289
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.