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PUBCHEM-ZINC06300427

 MMsINC code: MMs03664878
Type: Neutral
Formula: C25H26N2O3
SMILES:   O(C(C(=O)N(C)c1ccccc1C(=O)NCc1ccccc1)C)c1ccc(cc1)C
InChI:   InChI=1/C25H26N2O3/c1-18-13-15-21(16-14-18)30-19(2)25(29)27(3)23-12-8-7-11-22(23)24(28)26-17-20-9-5-4-6-10-20/h4-16,19H,17H2,1-3H3,(H,26,28)/t19-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=144.324 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 402.494 g/mol  logS: -6.04086  SlogP: 4.62172  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0682349  Sterimol/B1: 3.18615  Sterimol/B2: 3.92454  Sterimol/B3: 4.14619
  Sterimol/B4: 8.72518  Sterimol/L: 20.6991 
 
 Surface and Volume Properties
  Accessible surface: 717.919  Positive charged surface: 433.666  Negative charged surface: 284.253  Volume: 404
  Hydrophobic surface: 648.928  Hydrophilic surface: 68.991
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.