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ENAMINE-ZINC03244746

 MMsINC code: MMs01326918
Type: Neutral
Formula: C22H23NO5
SMILES:   O1CCCC1CNC(=O)COC(=O)c1ccccc1C(=O)c1ccc(cc1)C
InChI:   InChI=1/C22H23NO5/c1-15-8-10-16(11-9-15)21(25)18-6-2-3-7-19(18)22(26)28-14-20(24)23-13-17-5-4-12-27-17/h2-3,6-11,17H,4-5,12-14H2,1H3,(H,23,24)/t17-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=103.038 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 381.428 g/mol  logS: -5.18093  SlogP: 2.67802  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.059392  Sterimol/B1: 2.27968  Sterimol/B2: 2.58105  Sterimol/B3: 5.57109
  Sterimol/B4: 10.9653  Sterimol/L: 17.6524 
 
 Surface and Volume Properties
  Accessible surface: 686.84  Positive charged surface: 453.708  Negative charged surface: 233.133  Volume: 368.5
  Hydrophobic surface: 576.892  Hydrophilic surface: 109.948
 
 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.