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CHEMSTAR-ZINC04131686

 MMsINC code: MMs01108139
Type: Neutral
Formula: C27H18ClNO5
SMILES:   Clc1ccccc1C1OC2(C3C1C(=O)N(C3=O)c1ccc(cc1)C)C(=O)c1c(cccc1)C
2=O
InChI:   InChI=1/C27H18ClNO5/c1-14-10-12-15(13-11-14)29-25(32)20-21(26(29)33)27(34-22(20)18-8-4-5-9-19(18)28)23(30)16-6-2-3-7-17(16)24(27)31/h2-13,20-22H,1H3/t20-,21+,22+/m1/s1

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Potential Energy
Epot(MMFF94)=133.598 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 471.896 g/mol  logS: -7.35068  SlogP: 4.43902  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.103927  Sterimol/B1: 3.4194  Sterimol/B2: 5.37765  Sterimol/B3: 5.85596
  Sterimol/B4: 8.66212  Sterimol/L: 15.7012 
 
 Surface and Volume Properties
  Accessible surface: 676.327  Positive charged surface: 324.124  Negative charged surface: 352.203  Volume: 412.25
  Hydrophobic surface: 573.049  Hydrophilic surface: 103.278
 
 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.