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NCID-ZINC01649831

 MMsINC code: MMs02289718
Type: Neutral
Formula: C18H19N5O4
SMILES:   O1CCN(CC1)C=1C(=O)NC=2N(C=1N)C(=O)/C(/N=2)=C/c1ccc(OC)cc1
InChI:   InChI=1/C18H19N5O4/c1-26-12-4-2-11(3-5-12)10-13-17(25)23-15(19)14(16(24)21-18(23)20-13)22-6-8-27-9-7-22/h2-5,10H,6-9,19H2,1H3,(H,20,21,24)/b13-10-

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Potential Energy
Epot(MMFF94)=126.383 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 369.381 g/mol  logS: -3.62867  SlogP: -0.1759  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0245299  Sterimol/B1: 3.05436  Sterimol/B2: 3.3572  Sterimol/B3: 3.54315
  Sterimol/B4: 5.84765  Sterimol/L: 19.4857 
 
 Surface and Volume Properties
  Accessible surface: 598.244  Positive charged surface: 437.528  Negative charged surface: 160.716  Volume: 329
  Hydrophobic surface: 406.896  Hydrophilic surface: 191.348
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.