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CHEMDIV-ZINC02950656

 MMsINC code: MMs00897167
Type: Neutral
Formula: C23H21N3O4
SMILES:   O(C)c1cc(N2C(O)(c3c(NC2=O)cccc3)C(=O)NCc2ccccc2)ccc1
InChI:   InChI=1/C23H21N3O4/c1-30-18-11-7-10-17(14-18)26-22(28)25-20-13-6-5-12-19(20)23(26,29)21(27)24-15-16-8-3-2-4-9-16/h2-14,29H,15H2,1H3,(H,24,27)(H,25,28)/t23-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=105.517 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 403.438 g/mol  logS: -5.11273  SlogP: 3.7867  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.148021  Sterimol/B1: 3.92946  Sterimol/B2: 4.89084  Sterimol/B3: 5.85871
  Sterimol/B4: 7.00879  Sterimol/L: 16.4485 
 
 Surface and Volume Properties
  Accessible surface: 649.689  Positive charged surface: 386.491  Negative charged surface: 263.199  Volume: 377.75
  Hydrophobic surface: 525.742  Hydrophilic surface: 123.947
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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.