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ENAMINE-ZINC05797960

 MMsINC code: MMs01640280
Type: Neutral
Formula: C23H27N3O4
SMILES:   O(C)c1ccc(cc1)C1(NC(=O)N(CC(=O)N(Cc2ccccc2C)C)C1=O)CC
InChI:   InChI=1/C23H27N3O4/c1-5-23(18-10-12-19(30-4)13-11-18)21(28)26(22(29)24-23)15-20(27)25(3)14-17-9-7-6-8-16(17)2/h6-13H,5,14-15H2,1-4H3,(H,24,29)/t23-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=84.2418 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 409.486 g/mol  logS: -4.69015  SlogP: 3.39722  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.103331  Sterimol/B1: 2.2082  Sterimol/B2: 4.14903  Sterimol/B3: 4.58082
  Sterimol/B4: 10.4525  Sterimol/L: 16.4599 
 
 Surface and Volume Properties
  Accessible surface: 687.675  Positive charged surface: 452.618  Negative charged surface: 235.057  Volume: 398
  Hydrophobic surface: 558.451  Hydrophilic surface: 129.224
 
 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.