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ASINEX-ZINC00758002

 MMsINC code: MMs00157446
Type: Neutral
Formula: C20H40N4O
SMILES:   O=C(NC1CC(NC(C1)(C)C)(C)C)CNC1CC(NC(C1)(C)C)(C)C
InChI:   InChI=1/C20H40N4O/c1-17(2)9-14(10-18(3,4)23-17)21-13-16(25)22-15-11-19(5,6)24-20(7,8)12-15/h14-15,21,23-24H,9-13H2,1-8H3,(H,22,25)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=59.5778 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 352.567 g/mol  logS: -2.78637  SlogP: 2.3106  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0590073  Sterimol/B1: 2.67471  Sterimol/B2: 2.73316  Sterimol/B3: 4.33101
  Sterimol/B4: 7.03769  Sterimol/L: 17.6771 
 
 Surface and Volume Properties
  Accessible surface: 668.08  Positive charged surface: 497.559  Negative charged surface: 170.521  Volume: 388.25
  Hydrophobic surface: 457.86  Hydrophilic surface: 210.22
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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


MMs00157447
ASINEX-ZINC00758002