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MAYBRIDGE-ZINC03118398

 MMsINC code: MMs02160278
Type: Neutral
Formula: C16H19N5O4
SMILES:   O(C)c1nc(nc(OC)c1)NCC(NC(=O)c1ccccc1)C(=O)N
InChI:   InChI=1/C16H19N5O4/c1-24-12-8-13(25-2)21-16(20-12)18-9-11(14(17)22)19-15(23)10-6-4-3-5-7-10/h3-8,11H,9H2,1-2H3,(H2,17,22)(H,19,23)(H,18,20,21)/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=32.8152 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 345.359 g/mol  logS: -3.62825  SlogP: 0.1896  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0964657  Sterimol/B1: 2.83217  Sterimol/B2: 4.67065  Sterimol/B3: 4.93181
  Sterimol/B4: 8.78114  Sterimol/L: 15.7339 
 
 Surface and Volume Properties
  Accessible surface: 619.279  Positive charged surface: 429.954  Negative charged surface: 189.325  Volume: 317.375
  Hydrophobic surface: 423.385  Hydrophilic surface: 195.894
 
 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.