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ASINEX-ZINC01909278

 MMsINC code: MMs00259849
Type: Neutral
Formula: C24H28N2O3
SMILES:   O=C1N(C(CC(C)C)C(=O)Nc2ccc(cc2)CCCC)C(=O)c2c1cccc2
InChI:   InChI=1/C24H28N2O3/c1-4-5-8-17-11-13-18(14-12-17)25-22(27)21(15-16(2)3)26-23(28)19-9-6-7-10-20(19)24(26)29/h6-7,9-14,16,21H,4-5,8,15H2,1-3H3,(H,25,27)/t21-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=82.0388 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.499 g/mol  logS: -7.51016  SlogP: 4.67857  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0738557  Sterimol/B1: 2.79653  Sterimol/B2: 4.99384  Sterimol/B3: 5.60582
  Sterimol/B4: 7.11767  Sterimol/L: 18.4529 
 
 Surface and Volume Properties
  Accessible surface: 707.94  Positive charged surface: 439.543  Negative charged surface: 268.397  Volume: 396.25
  Hydrophobic surface: 565.06  Hydrophilic surface: 142.88
 
 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.