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ENAMINE-ZINC03599363

 MMsINC code: MMs01520832
Type: Neutral
Formula: C19H18N4O4
SMILES:   O=C1N(CC(=O)NC(=O)N)C(=O)NC1(Cc1ccccc1)c1ccccc1
InChI:   InChI=1/C19H18N4O4/c20-17(26)21-15(24)12-23-16(25)19(22-18(23)27,14-9-5-2-6-10-14)11-13-7-3-1-4-8-13/h1-10H,11-12H2,(H,22,27)(H3,20,21,24,26)/t19-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=50.9564 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.377 g/mol  logS: -4.13885  SlogP: 1.18277  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.125025  Sterimol/B1: 2.35521  Sterimol/B2: 3.86304  Sterimol/B3: 4.29953
  Sterimol/B4: 7.34436  Sterimol/L: 16.2139 
 
 Surface and Volume Properties
  Accessible surface: 561.743  Positive charged surface: 336.863  Negative charged surface: 224.88  Volume: 327.875
  Hydrophobic surface: 357.392  Hydrophilic surface: 204.351
 
 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.