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PUBCHEM-ZINC06187510

 MMsINC code: MMs03588699
Type: Neutral
Formula: C18H19N5O4
SMILES:   O(C)c1ccc(cc1)CNC(=O)CCC(=O)NC=1NC2=NC(=O)NC2=CC=1
InChI:   InChI=1/C18H19N5O4/c1-27-12-4-2-11(3-5-12)10-19-15(24)8-9-16(25)21-14-7-6-13-17(22-14)23-18(26)20-13/h2-7H,8-10H2,1H3,(H,19,24)(H3,20,21,22,23,25,26)

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Potential Energy
Epot(MMFF94)=43.9609 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 369.381 g/mol  logS: -3.51005  SlogP: 0.9244  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0231287  Sterimol/B1: 2.7984  Sterimol/B2: 3.74042  Sterimol/B3: 4.6606
  Sterimol/B4: 6.61803  Sterimol/L: 21.4344 
 
 Surface and Volume Properties
  Accessible surface: 655.468  Positive charged surface: 438.056  Negative charged surface: 217.412  Volume: 333.625
  Hydrophobic surface: 403.643  Hydrophilic surface: 251.825
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.