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CHEMSTAR-ZINC01207754

 MMsINC code: MMs01077867
Type: Neutral
Formula: C23H20ClN3O3
SMILES:   Clc1ccc(NC(=O)Cc2cc(OC)c(OC)cc2)cc1-c1[nH]c2c(n1)cccc2
InChI:   InChI=1/C23H20ClN3O3/c1-29-20-10-7-14(11-21(20)30-2)12-22(28)25-15-8-9-17(24)16(13-15)23-26-18-5-3-4-6-19(18)27-23/h3-11,13H,12H2,1-2H3,(H,25,28)(H,26,27)

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Potential Energy
Epot(MMFF94)=123.422 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 421.884 g/mol  logS: -7.35675  SlogP: 5.08167  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0790198  Sterimol/B1: 2.35961  Sterimol/B2: 3.59549  Sterimol/B3: 5.41106
  Sterimol/B4: 10.4973  Sterimol/L: 16.4832 
 
 Surface and Volume Properties
  Accessible surface: 708.567  Positive charged surface: 460.222  Negative charged surface: 248.345  Volume: 387.5
  Hydrophobic surface: 629.361  Hydrophilic surface: 79.206
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.