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AURORAFEINCHEMIE-ZINC06780030

 MMsINC code: MMs00481681
Type: Neutral
Formula: C25H22N2O4
SMILES:   O1c2cc(ccc2OC1)CNC(=O)C(N1Cc2c(cccc2)C1=O)Cc1ccccc1
InChI:   InChI=1/C25H22N2O4/c28-24(26-14-18-10-11-22-23(13-18)31-16-30-22)21(12-17-6-2-1-3-7-17)27-15-19-8-4-5-9-20(19)25(27)29/h1-11,13,21H,12,14-16H2,(H,26,28)/t21-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=105.529 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 414.461 g/mol  logS: -5.27236  SlogP: 3.83157  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0744447  Sterimol/B1: 2.38964  Sterimol/B2: 3.98398  Sterimol/B3: 4.05023
  Sterimol/B4: 9.12075  Sterimol/L: 19.0219 
 
 Surface and Volume Properties
  Accessible surface: 691.743  Positive charged surface: 421.008  Negative charged surface: 270.735  Volume: 395
  Hydrophobic surface: 576.206  Hydrophilic surface: 115.537
 
 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.