MMsINC Database Search


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MMsINC code: MMs01622873

Type: Neutral
Formula: C₂₃H₁₈N₂O₃

SMILES:

O=C1N(Cc2cc(ccc2)C(=O)Nc2ccc(cc2)C)C(=O)c2c1cccc2

InChI:

InChI=1/C23H18N2O3/c1-15-9-11-18(12-10-15)24-21(26)17-6-4-5-16(13-17)14-25-22(27)19-7-2-3-8-20(19)23(25)28/h2-13H,14H2,1H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.3767 kcal/mol

Physical Properties
Molecular Weight: 370.408 g/mol	logS: -6.14654	SlogP: 4.30992	Reactive groups: 0

Topological Properties
Globularity: 0.0464144	Sterimol/B1: 3.4663	Sterimol/B2: 3.65972	Sterimol/B3: 4.14081
Sterimol/B4: 7.52136	Sterimol/L: 18.7934

Surface and Volume Properties
Accessible surface: 642.619	Positive charged surface: 357.607	Negative charged surface: 285.012	Volume: 353.875
Hydrophobic surface: 528.984	Hydrophilic surface: 113.635

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.