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CHEMDIV-ZINC03665858

 MMsINC code: MMs00916169
Type: Neutral
Formula: C23H21N3O4
SMILES:   O(C)c1ccc(cc1)CNC(=O)C1(O)N(c2ccccc2)C(=O)Nc2c1cccc2
InChI:   InChI=1/C23H21N3O4/c1-30-18-13-11-16(12-14-18)15-24-21(27)23(29)19-9-5-6-10-20(19)25-22(28)26(23)17-7-3-2-4-8-17/h2-14,29H,15H2,1H3,(H,24,27)(H,25,28)/t23-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=106.388 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: 0.151876  Sterimol/B1: 3.76484  Sterimol/B2: 5.10079  Sterimol/B3: 5.96688
  Sterimol/B4: 7.6554  Sterimol/L: 16.5018 
 
 Surface and Volume Properties
  Accessible surface: 644.429  Positive charged surface: 388.276  Negative charged surface: 256.153  Volume: 377.5
  Hydrophobic surface: 521.226  Hydrophilic surface: 123.203
 
 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.