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NCID-ZINC01866504

 MMsINC code: MMs02375317
Type: Neutral
Formula: C20H17ClN2O5
SMILES:   Clc1ccc(cc1)C(CC(=O)c1ccc(OC)cc1)C1C(=O)NC(=O)NC1=O
InChI:   InChI=1/C20H17ClN2O5/c1-28-14-8-4-12(5-9-14)16(24)10-15(11-2-6-13(21)7-3-11)17-18(25)22-20(27)23-19(17)26/h2-9,15,17H,10H2,1H3,(H2,22,23,25,26,27)/t15-/m0/s1

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Potential Energy
Epot(MMFF94)=56.8564 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 400.818 g/mol  logS: -4.75404  SlogP: 2.6874  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0891653  Sterimol/B1: 3.49593  Sterimol/B2: 4.23889  Sterimol/B3: 5.03645
  Sterimol/B4: 8.10905  Sterimol/L: 16.3207 
 
 Surface and Volume Properties
  Accessible surface: 612.503  Positive charged surface: 342.993  Negative charged surface: 269.51  Volume: 343.625
  Hydrophobic surface: 416.379  Hydrophilic surface: 196.124
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.