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ASINEX-ZINC04848300

 MMsINC code: MMs00378686
Type: Neutral
Formula: C19H28N4O4
SMILES:   O(CCNC(=O)CN(C(=O)CCC(=O)Nc1ncccc1)C1CCCC1)C
InChI:   InChI=1/C19H28N4O4/c1-27-13-12-21-18(25)14-23(15-6-2-3-7-15)19(26)10-9-17(24)22-16-8-4-5-11-20-16/h4-5,8,11,15H,2-3,6-7,9-10,12-14H2,1H3,(H,21,25)(H,20,22,24)

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Potential Energy
Epot(MMFF94)=73.1585 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.457 g/mol  logS: -1.74164  SlogP: 1.3341  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0366668  Sterimol/B1: 2.98423  Sterimol/B2: 3.51335  Sterimol/B3: 3.51488
  Sterimol/B4: 7.93016  Sterimol/L: 21.4852 
 
 Surface and Volume Properties
  Accessible surface: 705.734  Positive charged surface: 544.493  Negative charged surface: 161.241  Volume: 367.25
  Hydrophobic surface: 575.323  Hydrophilic surface: 130.411
 
 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.