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MMsINC code: MMs01393319

Type: Neutral
Formula: C₂₄H₂₀N₄O₂

SMILES:

O(C)c1ccc(cc1)-c1n[nH]c(c1-c1[nH]c2c(n1)cccc2)-c1ccc(OC)cc1

InChI:

InChI=1/C24H20N4O2/c1-29-17-11-7-15(8-12-17)22-21(24-25-19-5-3-4-6-20(19)26-24)23(28-27-22)16-9-13-18(30-2)14-10-16/h3-14H,1-2H3,(H,25,26)(H,27,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.299 kcal/mol

Physical Properties
Molecular Weight: 396.45 g/mol	logS: -7.8174	SlogP: 5.3042	Reactive groups: 0

Topological Properties
Globularity: 0.037441	Sterimol/B1: 2.75675	Sterimol/B2: 3.80618	Sterimol/B3: 5.48966
Sterimol/B4: 7.22428	Sterimol/L: 19.4155

Surface and Volume Properties
Accessible surface: 655.217	Positive charged surface: 427.431	Negative charged surface: 227.786	Volume: 377.375
Hydrophobic surface: 561.79	Hydrophilic surface: 93.427

Pharmacophoric Properties
Hydrogen bond donors: 4	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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.