MMsINC Database Search


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MMsINC code: MMs01816413

Type: Neutral
Formula: C₂₄H₂₀N₄O

SMILES:

O(C)c1ccccc1Cn1c2nc3c(nc2nc1-c1ccc(cc1)C)cccc3

InChI:

InChI=1/C24H20N4O/c1-16-11-13-17(14-12-16)23-27-22-24(26-20-9-5-4-8-19(20)25-22)28(23)15-18-7-3-6-10-21(18)29-2/h3-14H,15H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=134.995 kcal/mol

Physical Properties
Molecular Weight: 380.451 g/mol	logS: -8.44977	SlogP: 5.27822	Reactive groups: 0

Topological Properties
Globularity: 0.076139	Sterimol/B1: 3.53191	Sterimol/B2: 3.55982	Sterimol/B3: 3.84445
Sterimol/B4: 7.55351	Sterimol/L: 16.9575

Surface and Volume Properties
Accessible surface: 620.097	Positive charged surface: 390.749	Negative charged surface: 229.348	Volume: 372.75
Hydrophobic surface: 550.341	Hydrophilic surface: 69.756

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.