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ENAMINE-ZINC03516683

 MMsINC code: MMs01486499
Type: Neutral
Formula: C18H18N4O4
SMILES:   O=C1N(CC(=O)NC(=O)NC)C(=O)NC1(C)c1c2c(ccc1)cccc2
InChI:   InChI=1/C18H18N4O4/c1-18(13-9-5-7-11-6-3-4-8-12(11)13)15(24)22(17(26)21-18)10-14(23)20-16(25)19-2/h3-9H,10H2,1-2H3,(H,21,26)(H2,19,20,23,25)/t18-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=64.7077 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 354.366 g/mol  logS: -4.40858  SlogP: 1.3739  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.171205  Sterimol/B1: 2.59155  Sterimol/B2: 4.1288  Sterimol/B3: 5.89951
  Sterimol/B4: 7.51755  Sterimol/L: 15.1395 
 
 Surface and Volume Properties
  Accessible surface: 582.42  Positive charged surface: 372.638  Negative charged surface: 202.132  Volume: 318.375
  Hydrophobic surface: 379.093  Hydrophilic surface: 203.327
 
 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.