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AURORAFEINCHEMIE-ZINC05349110

 MMsINC code: MMs00474668
Type: Neutral
Formula: C20H24N2O3
SMILES:   OC(=O)C(NC(=O)Nc1ccc(cc1)CCCC)Cc1ccccc1
InChI:   InChI=1/C20H24N2O3/c1-2-3-7-15-10-12-17(13-11-15)21-20(25)22-18(19(23)24)14-16-8-5-4-6-9-16/h4-6,8-13,18H,2-3,7,14H2,1H3,(H,23,24)(H2,21,22,25)/t18-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=53.8262 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.423 g/mol  logS: -5.27298  SlogP: 3.84654  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0622731  Sterimol/B1: 3.35061  Sterimol/B2: 4.0798  Sterimol/B3: 4.46489
  Sterimol/B4: 7.1664  Sterimol/L: 17.6107 
 
 Surface and Volume Properties
  Accessible surface: 653.735  Positive charged surface: 409.492  Negative charged surface: 244.243  Volume: 344.375
  Hydrophobic surface: 497.861  Hydrophilic surface: 155.874
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs00474669
AURORAFEINCHEMIE-ZINC05349110