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NANOSIN-ZINC04427598

 MMsINC code: MMs02207246
Type: Neutral
Formula: C30H26N2O3
SMILES:   O=C1N(CCCN(C(=O)c2ccccc2)c2ccc(cc2C)C)C(=O)c2c3c1cccc3ccc2
InChI:   InChI=1/C30H26N2O3/c1-20-15-16-26(21(2)19-20)31(28(33)23-9-4-3-5-10-23)17-8-18-32-29(34)24-13-6-11-22-12-7-14-25(27(22)24)30(32)35/h3-7,9-16,19H,8,17-18H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=136.138 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 462.549 g/mol  logS: -8.30711  SlogP: 5.78974  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.103627  Sterimol/B1: 2.14475  Sterimol/B2: 3.30691  Sterimol/B3: 5.11812
  Sterimol/B4: 9.2319  Sterimol/L: 17.8308 
 
 Surface and Volume Properties
  Accessible surface: 734.968  Positive charged surface: 418.604  Negative charged surface: 305.299  Volume: 452.5
  Hydrophobic surface: 652.567  Hydrophilic surface: 82.401
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.