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PUBCHEM-ZINC05198861

 MMsINC code: MMs03223389
Type: Neutral
Formula: C24H24N2O5
SMILES:   O=C1N(Cc2cc(ccc2)C(OC(C(=O)NC2CCCC2)C)=O)C(=O)c2c1cccc2
InChI:   InChI=1/C24H24N2O5/c1-15(21(27)25-18-9-2-3-10-18)31-24(30)17-8-6-7-16(13-17)14-26-22(28)19-11-4-5-12-20(19)23(26)29/h4-8,11-13,15,18H,2-3,9-10,14H2,1H3,(H,25,27)/t15-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=71.9378 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 420.465 g/mol  logS: -5.54006  SlogP: 3.3533  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0541958  Sterimol/B1: 2.39651  Sterimol/B2: 3.02498  Sterimol/B3: 5.87012
  Sterimol/B4: 7.74981  Sterimol/L: 20.1795 
 
 Surface and Volume Properties
  Accessible surface: 719.214  Positive charged surface: 438.976  Negative charged surface: 280.237  Volume: 398.125
  Hydrophobic surface: 554.011  Hydrophilic surface: 165.203
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.