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CHEMBLOCK-ZINC00894454

 MMsINC code: MMs00509456
Type: Neutral
Formula: C22H28N2O3
SMILES:   O(c1cc(NC(=O)C(C)(C)C)ccc1)c1cc(NC(=O)C(C)(C)C)ccc1
InChI:   InChI=1/C22H28N2O3/c1-21(2,3)19(25)23-15-9-7-11-17(13-15)27-18-12-8-10-16(14-18)24-20(26)22(4,5)6/h7-14H,1-6H3,(H,23,25)(H,24,26)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=109.62 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 368.477 g/mol  logS: -4.79711  SlogP: 5.4481  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0426147  Sterimol/B1: 2.38927  Sterimol/B2: 3.45287  Sterimol/B3: 4.77506
  Sterimol/B4: 6.9682  Sterimol/L: 19.5854 
 
 Surface and Volume Properties
  Accessible surface: 689.248  Positive charged surface: 432.845  Negative charged surface: 256.403  Volume: 377.25
  Hydrophobic surface: 533.685  Hydrophilic surface: 155.563
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.