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CHEMSTAR-ZINC04182229

 MMsINC code: MMs01111031
Type: Neutral
Formula: C26H15Cl2NO5
SMILES:   Clc1cc(N2C(=O)C3C(C(OC34C(=O)c3c(cccc3)C4=O)c3ccccc3)C2=O)cc
(Cl)c1
InChI:   InChI=1/C26H15Cl2NO5/c27-14-10-15(28)12-16(11-14)29-24(32)19-20(25(29)33)26(34-21(19)13-6-2-1-3-7-13)22(30)17-8-4-5-9-18(17)23(26)31/h1-12,19-21H/t19-,20+,21-/m1/s1

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Potential Energy
Epot(MMFF94)=127.38 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 492.314 g/mol  logS: -7.61105  SlogP: 4.784  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.121392  Sterimol/B1: 2.31492  Sterimol/B2: 2.90056  Sterimol/B3: 5.20095
  Sterimol/B4: 12.1601  Sterimol/L: 16.676 
 
 Surface and Volume Properties
  Accessible surface: 671.769  Positive charged surface: 269.185  Negative charged surface: 402.584  Volume: 409.375
  Hydrophobic surface: 567.388  Hydrophilic surface: 104.381
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.