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ENAMINE-ZINC05079467

 MMsINC code: MMs01584822
Type: Neutral
Formula: C23H24ClNO4
SMILES:   Clc1ccc(cc1)C(=O)c1ccccc1C(OC(C(=O)NC1CCCCC1)C)=O
InChI:   InChI=1/C23H24ClNO4/c1-15(22(27)25-18-7-3-2-4-8-18)29-23(28)20-10-6-5-9-19(20)21(26)16-11-13-17(24)14-12-16/h5-6,9-15,18H,2-4,7-8H2,1H3,(H,25,27)/t15-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=89.3568 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 413.901 g/mol  logS: -6.54463  SlogP: 4.5652  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0878335  Sterimol/B1: 2.09235  Sterimol/B2: 4.8357  Sterimol/B3: 6.48645
  Sterimol/B4: 8.49545  Sterimol/L: 17.1302 
 
 Surface and Volume Properties
  Accessible surface: 702.635  Positive charged surface: 405.737  Negative charged surface: 296.898  Volume: 389.5
  Hydrophobic surface: 607.316  Hydrophilic surface: 95.319
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.