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ASINEX-ZINC00847069

 MMsINC code: MMs00190694
Type: Neutral
Formula: C23H20FN3O3
SMILES:   Fc1ccc(cc1)C1N(CCCn2ccnc2)C(=O)C(=O)C1C(=O)c1ccccc1
InChI:   InChI=1/C23H20FN3O3/c24-18-9-7-16(8-10-18)20-19(21(28)17-5-2-1-3-6-17)22(29)23(30)27(20)13-4-12-26-14-11-25-15-26/h1-3,5-11,14-15,19-20H,4,12-13H2/t19-,20+/m1/s1

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Potential Energy
Epot(MMFF94)=69.5378 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 405.429 g/mol  logS: -4.55026  SlogP: 3.4259  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.135571  Sterimol/B1: 3.09827  Sterimol/B2: 4.13299  Sterimol/B3: 5.42017
  Sterimol/B4: 9.5918  Sterimol/L: 17.2279 
 
 Surface and Volume Properties
  Accessible surface: 679.261  Positive charged surface: 381.284  Negative charged surface: 297.976  Volume: 377
  Hydrophobic surface: 546.834  Hydrophilic surface: 132.427
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs00190696
ASINEX-ZINC00847069


MMs00190695
ASINEX-ZINC00847069


MMs00190697
ASINEX-ZINC00847069


MMs00190698
ASINEX-ZINC00847069