MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs03077143

Type: Neutral
Formula: C₁₉H₂₄N₆O₃

SMILES:

O(C)c1c(OC)cc(N(Cc2cc3c(nc(nc3N)N)nc2)CC)cc1OC

InChI:

InChI=1/C19H24N6O3/c1-5-25(12-7-14(26-2)16(28-4)15(8-12)27-3)10-11-6-13-17(20)23-19(21)24-18(13)22-9-11/h6-9H,5,10H2,1-4H3,(H4,20,21,22,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.49 kcal/mol

Physical Properties
Molecular Weight: 384.44 g/mol	logS: -4.64176	SlogP: 2.5079	Reactive groups: 0

Topological Properties
Globularity: 0.162595	Sterimol/B1: 2.46999	Sterimol/B2: 3.06326	Sterimol/B3: 5.75468
Sterimol/B4: 9.27534	Sterimol/L: 15.6676

Surface and Volume Properties
Accessible surface: 627.569	Positive charged surface: 496.695	Negative charged surface: 126.233	Volume: 364.25
Hydrophobic surface: 378.035	Hydrophilic surface: 249.534

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 6	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.