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NCID-ZINC01575540

 MMsINC code: MMs02234348
Type: Neutral
Formula: C19H21N3O5
SMILES:   Oc1ccc(cc1)CC(NC(OCc1ccccc1)=O)C(=O)NCC(=O)N
InChI:   InChI=1/C19H21N3O5/c20-17(24)11-21-18(25)16(10-13-6-8-15(23)9-7-13)22-19(26)27-12-14-4-2-1-3-5-14/h1-9,16,23H,10-12H2,(H2,20,24)(H,21,25)(H,22,26)/t16-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=63.5316 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 371.393 g/mol  logS: -3.52638  SlogP: 1.09757  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0520072  Sterimol/B1: 2.97888  Sterimol/B2: 3.9981  Sterimol/B3: 4.03763
  Sterimol/B4: 9.71764  Sterimol/L: 18.2032 
 
 Surface and Volume Properties
  Accessible surface: 669.912  Positive charged surface: 404.204  Negative charged surface: 265.708  Volume: 348
  Hydrophobic surface: 423.13  Hydrophilic surface: 246.782
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.