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ENAMINE-ZINC03516701

 MMsINC code: MMs01486510
Type: Neutral
Formula: C19H20N4O4
SMILES:   O=C1N(CC(=O)NC(=O)NCC)C(=O)NC1(C)c1c2c(ccc1)cccc2
InChI:   InChI=1/C19H20N4O4/c1-3-20-17(26)21-15(24)11-23-16(25)19(2,22-18(23)27)14-10-6-8-12-7-4-5-9-13(12)14/h4-10H,3,11H2,1-2H3,(H,22,27)(H2,20,21,24,26)/t19-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=63.1861 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 368.393 g/mol  logS: -4.73579  SlogP: 1.764  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.059813  Sterimol/B1: 2.89946  Sterimol/B2: 4.60431  Sterimol/B3: 4.73138
  Sterimol/B4: 5.9332  Sterimol/L: 18.7548 
 
 Surface and Volume Properties
  Accessible surface: 613.639  Positive charged surface: 376.368  Negative charged surface: 228.948  Volume: 334.25
  Hydrophobic surface: 397.105  Hydrophilic surface: 216.534
 
 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.