MMsINC Database Search


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MMsINC code: MMs00534202

Type: Neutral
Formula: C₂₄H₁₈N₂O₄

SMILES:

O1c2cc(ccc2OC1)CNC(=O)C(=O)c1c2c([nH]c1-c1ccccc1)cccc2

InChI:

InChI=1/C24H18N2O4/c27-23(24(28)25-13-15-10-11-19-20(12-15)30-14-29-19)21-17-8-4-5-9-18(17)26-22(21)16-6-2-1-3-7-16/h1-12,26H,13-14H2,(H,25,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.213 kcal/mol

Physical Properties
Molecular Weight: 398.418 g/mol	logS: -6.27044	SlogP: 4.3291	Reactive groups: 0

Topological Properties
Globularity: 0.0450479	Sterimol/B1: 2.50467	Sterimol/B2: 3.46691	Sterimol/B3: 3.57136
Sterimol/B4: 11.0676	Sterimol/L: 18.0798

Surface and Volume Properties
Accessible surface: 676.39	Positive charged surface: 388.88	Negative charged surface: 283.129	Volume: 373.125
Hydrophobic surface: 534.185	Hydrophilic surface: 142.205

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.