MMsINC Database Search


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MMsINC code: MMs01804459

Type: Neutral
Formula: C₂₄H₂₀N₄O₂

SMILES:

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

InChI:

InChI=1/C24H20N4O2/c1-15-8-10-16(11-9-15)23-27-22-24(26-21-7-5-4-6-20(21)25-22)28(23)17-12-18(29-2)14-19(13-17)30-3/h4-14H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=163.275 kcal/mol

Physical Properties
Molecular Weight: 396.45 g/mol	logS: -8.55611	SlogP: 4.96132	Reactive groups: 0

Topological Properties
Globularity: 0.0917927	Sterimol/B1: 2.92034	Sterimol/B2: 3.88601	Sterimol/B3: 5.05775
Sterimol/B4: 10.3191	Sterimol/L: 16.6744

Surface and Volume Properties
Accessible surface: 668.421	Positive charged surface: 443.422	Negative charged surface: 224.999	Volume: 379.25
Hydrophobic surface: 583.324	Hydrophilic surface: 85.097

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 5	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.