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ASINEX-ZINC03664540

 MMsINC code: MMs00289645
Type: Neutral
Formula: C18H24N4O4
SMILES:   O(C)c1cc(ccc1OC)CCNC(=O)C(=O)NCCCn1ccnc1
InChI:   InChI=1/C18H24N4O4/c1-25-15-5-4-14(12-16(15)26-2)6-8-21-18(24)17(23)20-7-3-10-22-11-9-19-13-22/h4-5,9,11-13H,3,6-8,10H2,1-2H3,(H,20,23)(H,21,24)

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Potential Energy
Epot(MMFF94)=81.1687 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.414 g/mol  logS: -2.36015  SlogP: 1.03187  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0362195  Sterimol/B1: 2.23884  Sterimol/B2: 2.58123  Sterimol/B3: 5.35429
  Sterimol/B4: 7.29333  Sterimol/L: 22.4977 
 
 Surface and Volume Properties
  Accessible surface: 692.643  Positive charged surface: 537.357  Negative charged surface: 155.286  Volume: 350.125
  Hydrophobic surface: 529.335  Hydrophilic surface: 163.308
 
 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.