MMsINC Database Search


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MMsINC code: MMs01580265

Type: Neutral
Formula: C₂₀H₁₆N₂O₄

SMILES:

O(C(=O)c1ncccc1)Cc1cc(ccc1)COC(=O)c1ncccc1

InChI:

InChI=1/C20H16N2O4/c23-19(17-8-1-3-10-21-17)25-13-15-6-5-7-16(12-15)14-26-20(24)18-9-2-4-11-22-18/h1-12H,13-14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.567 kcal/mol

Physical Properties
Molecular Weight: 348.358 g/mol	logS: -3.4737	SlogP: 3.7234	Reactive groups: 0

Topological Properties
Globularity: 0.0752706	Sterimol/B1: 2.097	Sterimol/B2: 4.02943	Sterimol/B3: 4.32126
Sterimol/B4: 7.53092	Sterimol/L: 19.9061

Surface and Volume Properties
Accessible surface: 657.516	Positive charged surface: 396.536	Negative charged surface: 260.981	Volume: 328.25
Hydrophobic surface: 528.772	Hydrophilic surface: 128.744

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: 1

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Ions/Tautomers related molecules: no related molecules available.