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MMsINC code: MMs03417953

Type: Neutral
Formula: C₁₉H₂₄N₆O₄

SMILES:

O(C)c1c(OC)cc(NCc2cnc3nc(nc(N)c3c2COC)N)cc1OC

InChI:

InChI=1/C19H24N6O4/c1-26-9-12-10(8-23-18-15(12)17(20)24-19(21)25-18)7-22-11-5-13(27-2)16(29-4)14(6-11)28-3/h5-6,8,22H,7,9H2,1-4H3,(H4,20,21,23,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.666 kcal/mol

Physical Properties
Molecular Weight: 400.439 g/mol	logS: -4.2998	SlogP: 2.5063	Reactive groups: 0

Topological Properties
Globularity: 0.13567	Sterimol/B1: 2.26474	Sterimol/B2: 3.09823	Sterimol/B3: 7.5244
Sterimol/B4: 8.24664	Sterimol/L: 18.9862

Surface and Volume Properties
Accessible surface: 678.992	Positive charged surface: 564.281	Negative charged surface: 109.176	Volume: 369.125
Hydrophobic surface: 446.503	Hydrophilic surface: 232.489

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 7	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.