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NCID-ZINC01605776

 MMsINC code: MMs02257960
Type: Neutral
Formula: C19H22N4O4
SMILES:   O(Cc1ccccc1)C(=O)NCC(=O)NC(Cc1ccccc1)C(=O)NN
InChI:   InChI=1/C19H22N4O4/c20-23-18(25)16(11-14-7-3-1-4-8-14)22-17(24)12-21-19(26)27-13-15-9-5-2-6-10-15/h1-10,16H,11-13,20H2,(H,21,26)(H,22,24)(H,23,25)/t16-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=91.8276 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.409 g/mol  logS: -3.86826  SlogP: 0.89657  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0583379  Sterimol/B1: 2.54597  Sterimol/B2: 3.43001  Sterimol/B3: 4.39693
  Sterimol/B4: 10.3956  Sterimol/L: 17.7275 
 
 Surface and Volume Properties
  Accessible surface: 679.08  Positive charged surface: 410.005  Negative charged surface: 269.075  Volume: 351.25
  Hydrophobic surface: 453.518  Hydrophilic surface: 225.562
 
 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.