MMsINC Database Search


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MMsINC code: MMs00650392

Type: Neutral
Formula: C₂₄H₁₆N₂O₄

SMILES:

O(c1ccccc1OC)c1cc2c(cc1)C(=O)N(C2=O)c1c2ncccc2ccc1

InChI:

InChI=1/C24H16N2O4/c1-29-20-9-2-3-10-21(20)30-16-11-12-17-18(14-16)24(28)26(23(17)27)19-8-4-6-15-7-5-13-25-22(15)19/h2-14H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=141.591 kcal/mol

Physical Properties
Molecular Weight: 396.402 g/mol	logS: -6.18022	SlogP: 4.8363	Reactive groups: 0

Topological Properties
Globularity: 0.050758	Sterimol/B1: 2.68622	Sterimol/B2: 3.10578	Sterimol/B3: 5.84227
Sterimol/B4: 6.8322	Sterimol/L: 18.93

Surface and Volume Properties
Accessible surface: 658.887	Positive charged surface: 395.502	Negative charged surface: 258.267	Volume: 364.5
Hydrophobic surface: 569.951	Hydrophilic surface: 88.936

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 0

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Ions/Tautomers related molecules: no related molecules available.