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NCID-ZINC04958399

 MMsINC code: MMs02418601
Type: Neutral
Formula: C27H29N3O4
SMILES:   O(C(=O)CNC(=O)CNC(=O)CNC(c1ccccc1)(c1ccccc1)c1ccccc1)CC
InChI:   InChI=1/C27H29N3O4/c1-2-34-26(33)20-29-24(31)18-28-25(32)19-30-27(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,30H,2,18-20H2,1H3,(H,28,32)(H,29,31)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=163.829 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 459.546 g/mol  logS: -5.7417  SlogP: 2.6751  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0938554  Sterimol/B1: 4.55015  Sterimol/B2: 5.38391  Sterimol/B3: 6.29034
  Sterimol/B4: 6.43701  Sterimol/L: 22.7995 
 
 Surface and Volume Properties
  Accessible surface: 797.299  Positive charged surface: 504.329  Negative charged surface: 292.97  Volume: 451.875
  Hydrophobic surface: 618.057  Hydrophilic surface: 179.242
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.