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CHEMDIV-ZINC04675174

 MMsINC code: MMs00941381
Type: Neutral
Formula: C24H27N3O4
SMILES:   O=C(C(=O)Nc1cc(ccc1)C(=O)N1CC(CC(C1)C)C)c1ccccc1NC(=O)C
InChI:   InChI=1/C24H27N3O4/c1-15-11-16(2)14-27(13-15)24(31)18-7-6-8-19(12-18)26-23(30)22(29)20-9-4-5-10-21(20)25-17(3)28/h4-10,12,15-16H,11,13-14H2,1-3H3,(H,25,28)(H,26,30)/t15-,16+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=148.713 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 421.497 g/mol  logS: -5.0935  SlogP: 3.5845  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0607232  Sterimol/B1: 3.98789  Sterimol/B2: 4.24088  Sterimol/B3: 4.52556
  Sterimol/B4: 7.80049  Sterimol/L: 19.0291 
 
 Surface and Volume Properties
  Accessible surface: 723.852  Positive charged surface: 454.814  Negative charged surface: 269.038  Volume: 405.625
  Hydrophobic surface: 542.603  Hydrophilic surface: 181.249
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.