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CHEMDIV-ZINC04767654

 MMsINC code: MMs00952941
Type: Neutral
Formula: C28H26N4O4
SMILES:   O=C1N(c2ccc(cc2)C)C(=O)Nc2c1ccc(c2)C(=O)N1CCN(CC1)c1ccc(cc1)
C(=O)C
InChI:   InChI=1/C28H26N4O4/c1-18-3-8-23(9-4-18)32-27(35)24-12-7-21(17-25(24)29-28(32)36)26(34)31-15-13-30(14-16-31)22-10-5-20(6-11-22)19(2)33/h3-12,17H,13-16H2,1-2H3,(H,29,36)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=209.526 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 482.54 g/mol  logS: -6.35269  SlogP: 4.35232  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0378454  Sterimol/B1: 3.49807  Sterimol/B2: 3.97831  Sterimol/B3: 4.34896
  Sterimol/B4: 8.31789  Sterimol/L: 23.7048 
 
 Surface and Volume Properties
  Accessible surface: 775.917  Positive charged surface: 466.25  Negative charged surface: 309.667  Volume: 451.5
  Hydrophobic surface: 599.109  Hydrophilic surface: 176.808
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 0
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Ions/Tautomers related molecules: no related molecules available.