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ENAMINE-ZINC03601135

 MMsINC code: MMs01521203
Type: Neutral
Formula: C23H18ClNO4
SMILES:   Clc1ccc(cc1)C(=O)COC(=O)c1ccccc1C(=O)N(C)c1ccccc1
InChI:   InChI=1/C23H18ClNO4/c1-25(18-7-3-2-4-8-18)22(27)19-9-5-6-10-20(19)23(28)29-15-21(26)16-11-13-17(24)14-12-16/h2-14H,15H2,1H3

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Potential Energy
Epot(MMFF94)=143.343 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 407.853 g/mol  logS: -6.46415  SlogP: 4.6563  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0390198  Sterimol/B1: 2.34117  Sterimol/B2: 4.99482  Sterimol/B3: 6.23976
  Sterimol/B4: 7.14572  Sterimol/L: 18.0483 
 
 Surface and Volume Properties
  Accessible surface: 674.924  Positive charged surface: 349.167  Negative charged surface: 325.757  Volume: 372.875
  Hydrophobic surface: 600.137  Hydrophilic surface: 74.787
 
 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.