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ENAMINE-ZINC05866870

 MMsINC code: MMs01643769
Type: Neutral
Formula: C23H28N2O3
SMILES:   O(C)c1ccccc1CNC(=O)c1ccccc1C(=O)N(C)C1CCCCC1
InChI:   InChI=1/C23H28N2O3/c1-25(18-11-4-3-5-12-18)23(27)20-14-8-7-13-19(20)22(26)24-16-17-10-6-9-15-21(17)28-2/h6-10,13-15,18H,3-5,11-12,16H2,1-2H3,(H,24,26)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=91.1792 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 380.488 g/mol  logS: -4.86057  SlogP: 4.2963  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0822594  Sterimol/B1: 3.04015  Sterimol/B2: 5.52901  Sterimol/B3: 6.14462
  Sterimol/B4: 6.34664  Sterimol/L: 18.1367 
 
 Surface and Volume Properties
  Accessible surface: 677.751  Positive charged surface: 485.982  Negative charged surface: 191.769  Volume: 385.5
  Hydrophobic surface: 626.005  Hydrophilic surface: 51.746
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: 1
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Ions/Tautomers related molecules: no related molecules available.