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ENAMINE-ZINC04836376

 MMsINC code: MMs01556029
Type: Neutral
Formula: C18H14ClNO6
SMILES:   Clc1ccccc1-c1noc(C)c1C(OCc1oc(cc1)C(OC)=O)=O
InChI:   InChI=1/C18H14ClNO6/c1-10-15(16(20-26-10)12-5-3-4-6-13(12)19)18(22)24-9-11-7-8-14(25-11)17(21)23-2/h3-8H,9H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=82.4702 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 375.764 g/mol  logS: -5.90994  SlogP: 4.30642  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.111125  Sterimol/B1: 1.98587  Sterimol/B2: 4.21655  Sterimol/B3: 4.69924
  Sterimol/B4: 9.95785  Sterimol/L: 14.7671 
 
 Surface and Volume Properties
  Accessible surface: 637.423  Positive charged surface: 331.462  Negative charged surface: 305.96  Volume: 323.25
  Hydrophobic surface: 527.265  Hydrophilic surface: 110.158
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.