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OTAVA-ZINC01931428

 MMsINC code: MMs02568860
Type: Neutral
Formula: C23H28ClNO4
SMILES:   Clc1cccc(NC(=O)C(OC(=O)c2ccc(OCCCCCC)cc2)C)c1C
InChI:   InChI=1/C23H28ClNO4/c1-4-5-6-7-15-28-19-13-11-18(12-14-19)23(27)29-17(3)22(26)25-21-10-8-9-20(24)16(21)2/h8-14,17H,4-7,15H2,1-3H3,(H,25,26)/t17-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=94.5584 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 417.933 g/mol  logS: -7.11003  SlogP: 5.79152  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0173062  Sterimol/B1: 3.28967  Sterimol/B2: 3.9774  Sterimol/B3: 3.98572
  Sterimol/B4: 7.69817  Sterimol/L: 24.361 
 
 Surface and Volume Properties
  Accessible surface: 765.98  Positive charged surface: 465.27  Negative charged surface: 300.709  Volume: 409.5
  Hydrophobic surface: 660.54  Hydrophilic surface: 105.44
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.