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NCID-ZINC01605335

 MMsINC code: MMs02257564
Type: Neutral
Formula: C18H20N4O3
SMILES:   O=C(NCC(=O)NC(Cc1ccccc1)C(=O)NN)c1ccccc1
InChI:   InChI=1/C18H20N4O3/c19-22-18(25)15(11-13-7-3-1-4-8-13)21-16(23)12-20-17(24)14-9-5-2-6-10-14/h1-10,15H,11-12,19H2,(H,20,24)(H,21,23)(H,22,25)/t15-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=112.304 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.383 g/mol  logS: -3.79144  SlogP: 0.13377  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0875966  Sterimol/B1: 2.52558  Sterimol/B2: 3.37749  Sterimol/B3: 4.53479
  Sterimol/B4: 10.3752  Sterimol/L: 15.743 
 
 Surface and Volume Properties
  Accessible surface: 624.813  Positive charged surface: 358.675  Negative charged surface: 266.138  Volume: 326.125
  Hydrophobic surface: 425.321  Hydrophilic surface: 199.492
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.