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NANOSIN-ZINC01921311

 MMsINC code: MMs02200014
Type: Neutral
Formula: C30H28N2O4
SMILES:   O(CC(=O)N(NC(=O)C(O)(c1ccc(cc1)C)c1ccc(cc1)C)c1ccccc1)c1cccc
c1
InChI:   InChI=1/C30H28N2O4/c1-22-13-17-24(18-14-22)30(35,25-19-15-23(2)16-20-25)29(34)31-32(26-9-5-3-6-10-26)28(33)21-36-27-11-7-4-8-12-27/h3-20,35H,21H2,1-2H3,(H,31,34)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=187.299 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 480.564 g/mol  logS: -7.89129  SlogP: 4.99424  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.225707  Sterimol/B1: 2.86664  Sterimol/B2: 6.64362  Sterimol/B3: 7.69557
  Sterimol/B4: 8.82872  Sterimol/L: 18.5911 
 
 Surface and Volume Properties
  Accessible surface: 800.664  Positive charged surface: 454.585  Negative charged surface: 346.079  Volume: 474.375
  Hydrophobic surface: 735.017  Hydrophilic surface: 65.647
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.