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PUBCHEM-ZINC05481447

 MMsINC code: MMs03281862
Type: Neutral
Formula: C24H28N2O4
SMILES:   O=C1N(C(=O)C(NC(OC(C)(C)C)=O)Cc2ccccc2)C(CC1)c1ccccc1
InChI:   InChI=1/C24H28N2O4/c1-24(2,3)30-23(29)25-19(16-17-10-6-4-7-11-17)22(28)26-20(14-15-21(26)27)18-12-8-5-9-13-18/h4-13,19-20H,14-16H2,1-3H3,(H,25,29)/t19-,20+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=99.984 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.498 g/mol  logS: -5.10525  SlogP: 4.10817  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0907715  Sterimol/B1: 3.69614  Sterimol/B2: 3.82573  Sterimol/B3: 4.94911
  Sterimol/B4: 6.43906  Sterimol/L: 15.0937 
 
 Surface and Volume Properties
  Accessible surface: 654.581  Positive charged surface: 427.282  Negative charged surface: 227.299  Volume: 400.875
  Hydrophobic surface: 555.599  Hydrophilic surface: 98.982
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.