MMsINC Database Search


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MMsINC code: MMs02619249

Type: Neutral
Formula: C₂₃H₁₈N₂O₃

SMILES:

O=C1N(C(=O)c2c1cccc2)c1ccc(NC(=O)c2ccc(cc2C)C)cc1

InChI:

InChI=1/C23H18N2O3/c1-14-7-12-18(15(2)13-14)21(26)24-16-8-10-17(11-9-16)25-22(27)19-5-3-4-6-20(19)23(25)28/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)=125.915 kcal/mol

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

Topological Properties
Globularity: 0.0119617	Sterimol/B1: 2.76563	Sterimol/B2: 2.9356	Sterimol/B3: 3.60964
Sterimol/B4: 5.00873	Sterimol/L: 21.0919

Surface and Volume Properties
Accessible surface: 632.043	Positive charged surface: 347.94	Negative charged surface: 284.103	Volume: 349
Hydrophobic surface: 535.281	Hydrophilic surface: 96.762

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.