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CHEMDIV-ZINC03614615

 MMsINC code: MMs00911280
Type: Neutral
Formula: C19H19N3O5
SMILES:   O1c2cc(NC(=O)C(NC(=O)CNC(=O)C)c3ccccc3)ccc2OC1
InChI:   InChI=1/C19H19N3O5/c1-12(23)20-10-17(24)22-18(13-5-3-2-4-6-13)19(25)21-14-7-8-15-16(9-14)27-11-26-15/h2-9,18H,10-11H2,1H3,(H,20,23)(H,21,25)(H,22,24)/t18-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=100.601 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 369.377 g/mol  logS: -3.66247  SlogP: 1.4429  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0475365  Sterimol/B1: 3.19097  Sterimol/B2: 3.67182  Sterimol/B3: 4.49937
  Sterimol/B4: 8.12802  Sterimol/L: 19.8168 
 
 Surface and Volume Properties
  Accessible surface: 635.567  Positive charged surface: 400.631  Negative charged surface: 234.937  Volume: 337.25
  Hydrophobic surface: 452.966  Hydrophilic surface: 182.601
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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.