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MAYBRIDGE-ZINC04395053

 MMsINC code: MMs02174989
Type: Neutral
Formula: C24H31N3O4
SMILES:   O(Cc1ccccc1)c1ccc(NC(=O)N2CCC(NC(OC(C)(C)C)=O)CC2)cc1
InChI:   InChI=1/C24H31N3O4/c1-24(2,3)31-23(29)26-20-13-15-27(16-14-20)22(28)25-19-9-11-21(12-10-19)30-17-18-7-5-4-6-8-18/h4-12,20H,13-17H2,1-3H3,(H,25,28)(H,26,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=68.0012 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 425.529 g/mol  logS: -4.92388  SlogP: 5.053  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0326342  Sterimol/B1: 2.51507  Sterimol/B2: 3.74951  Sterimol/B3: 4.48049
  Sterimol/B4: 6.52115  Sterimol/L: 25.262 
 
 Surface and Volume Properties
  Accessible surface: 773.204  Positive charged surface: 516.908  Negative charged surface: 256.296  Volume: 422.75
  Hydrophobic surface: 635.76  Hydrophilic surface: 137.444
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.