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ASINEX-ZINC04718930

 MMsINC code: MMs00364798
Type: Neutral
Formula: C20H40N4O4
SMILES:   O1CCN(CCOCCN(CC1)C(=O)C(N)C(CC)C)C(=O)C(N)C(CC)C
InChI:   InChI=1/C20H40N4O4/c1-5-15(3)17(21)19(25)23-7-11-27-13-9-24(10-14-28-12-8-23)20(26)18(22)16(4)6-2/h15-18H,5-14,21-22H2,1-4H3/t15-,16+,17+,18-

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Potential Energy
Epot(MMFF94)=183.996 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 400.564 g/mol  logS: -2.03248  SlogP: 0.4372  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.120865  Sterimol/B1: 2.56116  Sterimol/B2: 3.25833  Sterimol/B3: 4.9232
  Sterimol/B4: 8.39692  Sterimol/L: 16.6606 
 
 Surface and Volume Properties
  Accessible surface: 651.603  Positive charged surface: 497.777  Negative charged surface: 153.826  Volume: 411.375
  Hydrophobic surface: 447.101  Hydrophilic surface: 204.502
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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


MMs00364799
ASINEX-ZINC04718930