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CHEMBLOCK-ZINC03089131

 MMsINC code: MMs00536026
Type: Neutral
Formula: C19H21N3O4
SMILES:   O(Cc1ccccc1)C(=O)NC(CC(=O)N)C(=O)Nc1ccccc1C
InChI:   InChI=1/C19H21N3O4/c1-13-7-5-6-10-15(13)21-18(24)16(11-17(20)23)22-19(25)26-12-14-8-3-2-4-9-14/h2-10,16H,11-12H2,1H3,(H2,20,23)(H,21,24)(H,22,25)/t16-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=60.5524 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 355.394 g/mol  logS: -3.92521  SlogP: 2.37032  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0886601  Sterimol/B1: 2.03808  Sterimol/B2: 4.42322  Sterimol/B3: 5.94674
  Sterimol/B4: 6.44029  Sterimol/L: 18.556 
 
 Surface and Volume Properties
  Accessible surface: 644.693  Positive charged surface: 392.155  Negative charged surface: 252.537  Volume: 336.75
  Hydrophobic surface: 476.969  Hydrophilic surface: 167.724
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.