MMsINC Database Search


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MMsINC code: MMs02116025

Type: Neutral
Formula: C₁₈H₁₆N₂O₄

SMILES:

O(CCN1C(=O)C(=O)N(Cc2ccccc2)C1=O)c1ccccc1

InChI:

InChI=1/C18H16N2O4/c21-16-17(22)20(13-14-7-3-1-4-8-14)18(23)19(16)11-12-24-15-9-5-2-6-10-15/h1-10H,11-13H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=33.5926 kcal/mol

Physical Properties
Molecular Weight: 324.336 g/mol	logS: -3.92843	SlogP: 2.3228	Reactive groups: 0

Topological Properties
Globularity: 0.0798891	Sterimol/B1: 3.03006	Sterimol/B2: 4.18044	Sterimol/B3: 4.91603
Sterimol/B4: 5.82007	Sterimol/L: 17.0638

Surface and Volume Properties
Accessible surface: 566.544	Positive charged surface: 320.56	Negative charged surface: 245.985	Volume: 303
Hydrophobic surface: 458.238	Hydrophilic surface: 108.306

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.