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NCID-ZINC01633588

 MMsINC code: MMs02277810
Type: Neutral
Formula: C30H23NO3
SMILES:   OC(Cc1n(c2c(cccc2)c1C(=O)c1ccccc1)C(=O)c1ccccc1)c1ccccc1
InChI:   InChI=1/C30H23NO3/c32-27(21-12-4-1-5-13-21)20-26-28(29(33)22-14-6-2-7-15-22)24-18-10-11-19-25(24)31(26)30(34)23-16-8-3-9-17-23/h1-19,27,32H,20H2/t27-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=157.77 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 445.518 g/mol  logS: -7.55012  SlogP: 5.93237  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.343097  Sterimol/B1: 4.30088  Sterimol/B2: 5.31925  Sterimol/B3: 5.81118
  Sterimol/B4: 8.98764  Sterimol/L: 15.4881 
 
 Surface and Volume Properties
  Accessible surface: 717.396  Positive charged surface: 357.834  Negative charged surface: 356.696  Volume: 439.125
  Hydrophobic surface: 654.5  Hydrophilic surface: 62.896
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.