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CHEMBRIDGE-ZINC01070795

 MMsINC code: MMs00658155
Type: Neutral
Formula: C24H27N3O5
SMILES:   O=C1N(c2ccc(cc2)C)C(=O)N(CC(C)C)C1CC(=O)Nc1ccc(cc1)C(OC)=O
InChI:   InChI=1/C24H27N3O5/c1-15(2)14-26-20(22(29)27(24(26)31)19-11-5-16(3)6-12-19)13-21(28)25-18-9-7-17(8-10-18)23(30)32-4/h5-12,15,20H,13-14H2,1-4H3,(H,25,28)/t20-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=105.54 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 437.496 g/mol  logS: -5.21711  SlogP: 3.60362  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0555818  Sterimol/B1: 2.06309  Sterimol/B2: 3.79209  Sterimol/B3: 4.0353
  Sterimol/B4: 12.84  Sterimol/L: 18.9569 
 
 Surface and Volume Properties
  Accessible surface: 742.003  Positive charged surface: 491.152  Negative charged surface: 250.852  Volume: 419.125
  Hydrophobic surface: 592.185  Hydrophilic surface: 149.818
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.