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ASINEX-ZINC04453297

 MMsINC code: MMs00337241
Type: Neutral
Formula: C15H23N5O2
SMILES:   O=C1N(C)C(=O)N(c2nc(n(c12)CC)CN1CCCCC1)C
InChI:   InChI=1/C15H23N5O2/c1-4-20-11(10-19-8-6-5-7-9-19)16-13-12(20)14(21)18(3)15(22)17(13)2/h4-10H2,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-10.0197 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 305.382 g/mol  logS: -1.47296  SlogP: 2.0635  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.107692  Sterimol/B1: 2.48934  Sterimol/B2: 2.87126  Sterimol/B3: 4.3945
  Sterimol/B4: 8.66511  Sterimol/L: 14.7497 
 
 Surface and Volume Properties
  Accessible surface: 544.414  Positive charged surface: 448.803  Negative charged surface: 95.6118  Volume: 297.125
  Hydrophobic surface: 437.582  Hydrophilic surface: 106.832
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs00337242
ASINEX-ZINC04453297