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CHEMSTAR-ZINC04131729

 MMsINC code: MMs01108154
Type: Neutral
Formula: C27H18ClNO6
SMILES:   Clc1ccccc1C1OC2(C3C1C(=O)N(C3=O)c1ccc(OC)cc1)C(=O)c1c(cccc1)
C2=O
InChI:   InChI=1/C27H18ClNO6/c1-34-15-12-10-14(11-13-15)29-25(32)20-21(26(29)33)27(35-22(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)=143.761 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 487.895 g/mol  logS: -6.92714  SlogP: 4.1392  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0974443  Sterimol/B1: 3.37375  Sterimol/B2: 5.42487  Sterimol/B3: 6.41957
  Sterimol/B4: 8.51703  Sterimol/L: 16.4432 
 
 Surface and Volume Properties
  Accessible surface: 693.372  Positive charged surface: 359.521  Negative charged surface: 333.851  Volume: 420.75
  Hydrophobic surface: 582.598  Hydrophilic surface: 110.774
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 6  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.