MMsINC Database Search


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MMsINC code: MMs00192856

Type: Neutral
Formula: C₂₄H₂₀N₂O₂

SMILES:

O(CC)c1ccccc1NC(=O)c1cc(nc2c1cccc2)-c1ccccc1

InChI:

InChI=1/C24H20N2O2/c1-2-28-23-15-9-8-14-21(23)26-24(27)19-16-22(17-10-4-3-5-11-17)25-20-13-7-6-12-18(19)20/h3-16H,2H2,1H3,(H,26,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=127.591 kcal/mol

Physical Properties
Molecular Weight: 368.436 g/mol	logS: -6.71618	SlogP: 5.5528	Reactive groups: 0

Topological Properties
Globularity: 0.0431628	Sterimol/B1: 2.37884	Sterimol/B2: 3.49037	Sterimol/B3: 4.64881
Sterimol/B4: 10.4109	Sterimol/L: 15.4867

Surface and Volume Properties
Accessible surface: 653.994	Positive charged surface: 371.866	Negative charged surface: 270.476	Volume: 364
Hydrophobic surface: 582.984	Hydrophilic surface: 71.01

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.