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PUBCHEM-ZINC02073517

 MMsINC code: MMs02869603
Type: Neutral
Formula: C25H26N2O3
SMILES:   O(CC)c1ccccc1NC(=O)c1cc(NC(=O)C(CC)c2ccccc2)ccc1
InChI:   InChI=1/C25H26N2O3/c1-3-21(18-11-6-5-7-12-18)25(29)26-20-14-10-13-19(17-20)24(28)27-22-15-8-9-16-23(22)30-4-2/h5-17,21H,3-4H2,1-2H3,(H,26,29)(H,27,28)/t21-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=128.897 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 402.494 g/mol  logS: -6.48091  SlogP: 5.4699  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0298297  Sterimol/B1: 2.55334  Sterimol/B2: 2.90734  Sterimol/B3: 5.36488
  Sterimol/B4: 7.63049  Sterimol/L: 20.2403 
 
 Surface and Volume Properties
  Accessible surface: 740.105  Positive charged surface: 456.538  Negative charged surface: 283.568  Volume: 401.625
  Hydrophobic surface: 628.877  Hydrophilic surface: 111.228
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.