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ASINEX-ZINC04848298

 MMsINC code: MMs00378684
Type: Neutral
Formula: C19H28N4O5
SMILES:   O1CCCC1CN(C(=O)CCC(=O)Nc1ncccc1)CC(=O)NCCOC
InChI:   InChI=1/C19H28N4O5/c1-27-12-10-21-18(25)14-23(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-/m1/s1

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Potential Energy
Epot(MMFF94)=73.6301 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: 0.0380776  Sterimol/B1: 3.22311  Sterimol/B2: 3.36  Sterimol/B3: 3.3991
  Sterimol/B4: 9.11637  Sterimol/L: 21.5364 
 
 Surface and Volume Properties
  Accessible surface: 730.389  Positive charged surface: 578.074  Negative charged surface: 152.315  Volume: 378.625
  Hydrophobic surface: 588.361  Hydrophilic surface: 142.028
 
 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.