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PUBCHEM-ZINC03963663

 MMsINC code: MMs03085969
Type: Neutral
Formula: C24H15N3O3
SMILES:   O1C2n3c4c(c5c(c6c7c(n(C1CC2)c46)cccc7)C(=O)NC5=O)c1c3cccc1
InChI:   InChI=1/C24H15N3O3/c28-23-19-17-11-5-1-3-7-13(11)26-15-9-10-16(30-15)27-14-8-4-2-6-12(14)18(22(27)21(17)26)20(19)24(29)25-23/h1-8,15-16H,9-10H2,(H,25,28,29)/t15-,16+

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Potential Energy
Epot(MMFF94)=75.1968 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 393.402 g/mol  logS: -6.70722  SlogP: 4.7982  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0279031  Sterimol/B1: 2.99481  Sterimol/B2: 3.27229  Sterimol/B3: 5.97973
  Sterimol/B4: 6.51579  Sterimol/L: 15.3416 
 
 Surface and Volume Properties
  Accessible surface: 552.814  Positive charged surface: 300.879  Negative charged surface: 230.432  Volume: 344.5
  Hydrophobic surface: 417.301  Hydrophilic surface: 135.513
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: 0
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Ions/Tautomers related molecules: no related molecules available.