MMsINC Database Search


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MMsINC code: MMs02884162

Type: Neutral
Formula: C₂₄H₂₀N₄O₃

SMILES:

O(C)c1cc(-n2c3nc4c(nc3nc2-c2ccc(OC)cc2)cccc4)cc(OC)c1

InChI:

InChI=1/C24H20N4O3/c1-29-17-10-8-15(9-11-17)23-27-22-24(26-21-7-5-4-6-20(21)25-22)28(23)16-12-18(30-2)14-19(13-16)31-3/h4-14H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=174.246 kcal/mol

Physical Properties
Molecular Weight: 412.449 g/mol	logS: -8.13257	SlogP: 4.6615	Reactive groups: 0

Topological Properties
Globularity: 0.0873491	Sterimol/B1: 2.20295	Sterimol/B2: 4.08291	Sterimol/B3: 4.82054
Sterimol/B4: 10.9803	Sterimol/L: 17.837

Surface and Volume Properties
Accessible surface: 692.738	Positive charged surface: 480.974	Negative charged surface: 211.764	Volume: 388.75
Hydrophobic surface: 594.096	Hydrophilic surface: 98.642

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 0

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Ions/Tautomers related molecules: no related molecules available.