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PUBCHEM-ZINC06522466

 MMsINC code: MMs03780771
Type: Neutral
Formula: C24H25N3O4
SMILES:   OC(NO)c1ccc(cc1)-c1cc(cc(NC(=O)c2ccc(cc2)C)c1)C(=O)N(C)C
InChI:   InChI=1/C24H25N3O4/c1-15-4-6-17(7-5-15)22(28)25-21-13-19(12-20(14-21)24(30)27(2)3)16-8-10-18(11-9-16)23(29)26-31/h4-14,23,26,29,31H,1-3H3,(H,25,28)/t23-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=150.58 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 419.481 g/mol  logS: -5.44181  SlogP: 3.68132  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0240696  Sterimol/B1: 2.70904  Sterimol/B2: 3.6048  Sterimol/B3: 4.8227
  Sterimol/B4: 9.53474  Sterimol/L: 19.6386 
 
 Surface and Volume Properties
  Accessible surface: 719.795  Positive charged surface: 439.775  Negative charged surface: 269.999  Volume: 404.5
  Hydrophobic surface: 523.699  Hydrophilic surface: 196.096
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.