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AURORAFEINCHEMIE-ZINC03438922

 MMsINC code: MMs00456312
Type: Neutral
Formula: C24H32N2O2
SMILES:   O=C(NC(C(C)C)C(=O)NCc1ccc(cc1)C)c1ccc(cc1)C(C)(C)C
InChI:   InChI=1/C24H32N2O2/c1-16(2)21(23(28)25-15-18-9-7-17(3)8-10-18)26-22(27)19-11-13-20(14-12-19)24(4,5)6/h7-14,16,21H,15H2,1-6H3,(H,25,28)(H,26,27)/t21-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=100.518 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 380.532 g/mol  logS: -6.69573  SlogP: 4.62972  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0453405  Sterimol/B1: 2.71477  Sterimol/B2: 3.16543  Sterimol/B3: 4.97586
  Sterimol/B4: 7.07673  Sterimol/L: 21.6335 
 
 Surface and Volume Properties
  Accessible surface: 709.065  Positive charged surface: 446.908  Negative charged surface: 262.157  Volume: 404.875
  Hydrophobic surface: 561.57  Hydrophilic surface: 147.495
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.