MMsINC Database Search


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MMsINC code: MMs00683999

Type: Neutral
Formula: C₂₃H₁₈N₂O₃

SMILES:

O=C1N(C(=O)c2c1cc(cc2)C(=O)Nc1ccc(cc1)C)c1cc(ccc1)C

InChI:

InChI=1/C23H18N2O3/c1-14-6-9-17(10-7-14)24-21(26)16-8-11-19-20(13-16)23(28)25(22(19)27)18-5-3-4-15(2)12-18/h3-13H,1-2H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=112.871 kcal/mol

Physical Properties
Molecular Weight: 370.408 g/mol	logS: -6.67642	SlogP: 4.35634	Reactive groups: 0

Topological Properties
Globularity: 0.00676018	Sterimol/B1: 2.62369	Sterimol/B2: 2.76537	Sterimol/B3: 3.92868
Sterimol/B4: 5.25977	Sterimol/L: 21.6544

Surface and Volume Properties
Accessible surface: 640.735	Positive charged surface: 351.109	Negative charged surface: 289.626	Volume: 350.125
Hydrophobic surface: 533.958	Hydrophilic surface: 106.777

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.