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ENAMINE-ZINC04951646

MMsINC code: MMs01569806

Type: Neutral
Formula: C15H13ClN2O5
SMILES:   Clc1ccc(nc1)NC(=O)COC(=O)c1cc(OC)ccc1O
InChI:   InChI=1/C15H13ClN2O5/c1-22-10-3-4-12(19)11(6-10)15(21)23-8-14(20)18-13-5-2-9(16)7-17-13/h2-7,19H,8H2,1H3,(H,17,18,20)

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=86.0372 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 336.731 g/mol  logS: -3.23888  SlogP: 2.2447  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0054997  Sterimol/B1: 2.38335  Sterimol/B2: 2.49934  Sterimol/B3: 2.57209
  Sterimol/B4: 7.82692  Sterimol/L: 17.4392 
 
 Surface and Volume Properties
  Accessible surface: 576.157  Positive charged surface: 353.708  Negative charged surface: 222.449  Volume: 287
  Hydrophobic surface: 428.806  Hydrophilic surface: 147.351
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.