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NCID-ZINC01610818

 MMsINC code: MMs02261642
Type: Neutral
Formula: C24H27N3O3
SMILES:   O=C1N(CC(=O)N(C2CCCCC2)c2ccccc2)C(=O)NC1(C)c1ccccc1
InChI:   InChI=1/C24H27N3O3/c1-24(18-11-5-2-6-12-18)22(29)26(23(30)25-24)17-21(28)27(19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-3,5-8,11-14,20H,4,9-10,15-17H2,1H3,(H,25,30)/t24-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=134.48 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 405.498 g/mol  logS: -5.49118  SlogP: 4.131  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0922111  Sterimol/B1: 2.36237  Sterimol/B2: 4.04235  Sterimol/B3: 4.69107
  Sterimol/B4: 9.42197  Sterimol/L: 15.9718 
 
 Surface and Volume Properties
  Accessible surface: 671.657  Positive charged surface: 412.178  Negative charged surface: 259.479  Volume: 392.25
  Hydrophobic surface: 556.419  Hydrophilic surface: 115.238
 
 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.