MMsINC Database Search


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MMsINC code: MMs01423470

Type: Neutral
Formula: C₂₄H₂₀N₂O₂

SMILES:

o1c(nc(C(=O)Nc2ccccc2Cc2ccccc2)c1C)-c1ccccc1

InChI:

InChI=1/C24H20N2O2/c1-17-22(26-24(28-17)19-12-6-3-7-13-19)23(27)25-21-15-9-8-14-20(21)16-18-10-4-2-5-11-18/h2-15H,16H2,1H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.49 kcal/mol

Physical Properties
Molecular Weight: 368.436 g/mol	logS: -7.1243	SlogP: 5.49309	Reactive groups: 0

Topological Properties
Globularity: 0.150619	Sterimol/B1: 2.17591	Sterimol/B2: 3.07085	Sterimol/B3: 5.81043
Sterimol/B4: 8.86958	Sterimol/L: 16.7748

Surface and Volume Properties
Accessible surface: 640.329	Positive charged surface: 360.246	Negative charged surface: 280.083	Volume: 366
Hydrophobic surface: 598.885	Hydrophilic surface: 41.444

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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: 1

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Ions/Tautomers related molecules: no related molecules available.