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ASINEX-ZINC04848188

 MMsINC code: MMs00378579
Type: Neutral
Formula: C19H28N4O5
SMILES:   O1CCCC1CNC(=O)CN(C(=O)CCC(=O)Nc1ncccc1)CCOC
InChI:   InChI=1/C19H28N4O5/c1-27-12-10-23(14-18(25)21-13-15-5-4-11-28-15)19(26)8-7-17(24)22-16-6-2-3-9-20-16/h2-3,6,9,15H,4-5,7-8,10-14H2,1H3,(H,21,25)(H,20,22,24)/t15-/m0/s1

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Potential Energy
Epot(MMFF94)=79.0679 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.456 g/mol  logS: -1.48074  SlogP: 0.5705  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0339942  Sterimol/B1: 2.1693  Sterimol/B2: 2.72317  Sterimol/B3: 4.41776
  Sterimol/B4: 9.07159  Sterimol/L: 21.8692 
 
 Surface and Volume Properties
  Accessible surface: 721.888  Positive charged surface: 572.475  Negative charged surface: 149.412  Volume: 378.375
  Hydrophobic surface: 585.845  Hydrophilic surface: 136.043
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  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: 0
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Ions/Tautomers related molecules: no related molecules available.