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ENAMINE-ZINC05557579

 MMsINC code: MMs01621420
Type: Neutral
Formula: C24H22N2O3
SMILES:   O=C1N(CCCC(=O)NC(C)c2ccccc2)C(=O)c2c3c1cccc3ccc2
InChI:   InChI=1/C24H22N2O3/c1-16(17-8-3-2-4-9-17)25-21(27)14-7-15-26-23(28)19-12-5-10-18-11-6-13-20(22(18)19)24(26)29/h2-6,8-13,16H,7,14-15H2,1H3,(H,25,27)/t16-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=64.4757 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.451 g/mol  logS: -6.16398  SlogP: 4.1889  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0469194  Sterimol/B1: 2.42921  Sterimol/B2: 2.81903  Sterimol/B3: 5.08386
  Sterimol/B4: 6.94128  Sterimol/L: 20.3896 
 
 Surface and Volume Properties
  Accessible surface: 676.582  Positive charged surface: 387.939  Negative charged surface: 277.146  Volume: 375
  Hydrophobic surface: 560.483  Hydrophilic surface: 116.099
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.