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NANOSIN-ZINC01506488

 MMsINC code: MMs02195147
Type: Neutral
Formula: C24H18N2O2
SMILES:   O=C1N(C(=O)C2C1C1c3c(C2c2c1cccc2)cccc3)c1ccc(N)cc1
InChI:   InChI=1/C24H18N2O2/c25-13-9-11-14(12-10-13)26-23(27)21-19-15-5-1-2-6-16(15)20(22(21)24(26)28)18-8-4-3-7-17(18)19/h1-12,19-22H,25H2/t19-,20+,21-,22-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=159.963 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.42 g/mol  logS: -4.90363  SlogP: 3.6654  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.152368  Sterimol/B1: 2.39243  Sterimol/B2: 3.65183  Sterimol/B3: 4.5266
  Sterimol/B4: 8.79512  Sterimol/L: 15.3874 
 
 Surface and Volume Properties
  Accessible surface: 595.897  Positive charged surface: 335.477  Negative charged surface: 260.419  Volume: 343.625
  Hydrophobic surface: 470.317  Hydrophilic surface: 125.58
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.