MMsINC Database Search


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MMsINC code: MMs01384159

Type: Neutral
Formula: C₂₄H₂₀N₄O

SMILES:

O(C)c1ccc(cc1)-c1[nH]nc(c1-c1nc2c(n1C)cccc2)-c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.632 kcal/mol

Physical Properties
Molecular Weight: 380.451 g/mol	logS: -7.66103	SlogP: 5.6652	Reactive groups: 0

Topological Properties
Globularity: 0.104078	Sterimol/B1: 2.32373	Sterimol/B2: 5.72543	Sterimol/B3: 6.16015
Sterimol/B4: 6.54566	Sterimol/L: 17.1148

Surface and Volume Properties
Accessible surface: 633.862	Positive charged surface: 401.42	Negative charged surface: 232.442	Volume: 375.5
Hydrophobic surface: 553.144	Hydrophilic surface: 80.718

Pharmacophoric Properties
Hydrogen bond donors: 2	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.