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MMsINC code: MMs01801714

Type: Neutral
Formula: C₂₀H₂₆N₄O₂

SMILES:

o1c2c(ncnc2NCCOC)c2c3c(CCCC3)c(nc12)CC(C)C

InChI:

InChI=1/C20H26N4O2/c1-12(2)10-15-13-6-4-5-7-14(13)16-17-18(26-20(16)24-15)19(23-11-22-17)21-8-9-25-3/h11-12H,4-10H2,1-3H3,(H,21,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.4403 kcal/mol

Physical Properties
Molecular Weight: 354.454 g/mol	logS: -6.41366	SlogP: 3.90651	Reactive groups: 0

Topological Properties
Globularity: 0.0331004	Sterimol/B1: 2.40994	Sterimol/B2: 2.41352	Sterimol/B3: 4.02711
Sterimol/B4: 9.12672	Sterimol/L: 16.9729

Surface and Volume Properties
Accessible surface: 636.025	Positive charged surface: 518.433	Negative charged surface: 112.434	Volume: 352.375
Hydrophobic surface: 476.614	Hydrophilic surface: 159.411

Pharmacophoric Properties
Hydrogen bond donors: 1	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: no related molecules available.