MMsINC Database Search


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MMsINC code: MMs01920414

Type: Neutral
Formula: C₂₄H₂₀N₄O

SMILES:

O(C)c1ccc(cc1)CCn1c2nc3c(nc2nc1-c1ccccc1)cccc3

InChI:

InChI=1/C24H20N4O/c1-29-19-13-11-17(12-14-19)15-16-28-23(18-7-3-2-4-8-18)27-22-24(28)26-21-10-6-5-9-20(21)25-22/h2-14H,15-16H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=133.146 kcal/mol

Physical Properties
Molecular Weight: 380.451 g/mol	logS: -8.03732	SlogP: 5.16417	Reactive groups: 0

Topological Properties
Globularity: 0.0164397	Sterimol/B1: 2.5198	Sterimol/B2: 3.18865	Sterimol/B3: 3.39725
Sterimol/B4: 10.1907	Sterimol/L: 18.4908

Surface and Volume Properties
Accessible surface: 644.329	Positive charged surface: 395.062	Negative charged surface: 249.267	Volume: 372.375
Hydrophobic surface: 572.93	Hydrophilic surface: 71.399

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.