MMsINC Database Search


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MMsINC code: MMs00375489

Type: Neutral
Formula: C₁₇H₁₆N₂O₄

SMILES:

O1CCOc2c1cc(NC(=O)C(=O)NCc1ccccc1)cc2

InChI:

InChI=1/C17H16N2O4/c20-16(18-11-12-4-2-1-3-5-12)17(21)19-13-6-7-14-15(10-13)23-9-8-22-14/h1-7,10H,8-9,11H2,(H,18,20)(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.3223 kcal/mol

Physical Properties
Molecular Weight: 312.325 g/mol	logS: -3.77704	SlogP: 1.9791	Reactive groups: 0

Topological Properties
Globularity: 0.0369444	Sterimol/B1: 3.10199	Sterimol/B2: 3.41216	Sterimol/B3: 4.05295
Sterimol/B4: 6.42275	Sterimol/L: 17.7835

Surface and Volume Properties
Accessible surface: 569.617	Positive charged surface: 369.719	Negative charged surface: 199.898	Volume: 287.875
Hydrophobic surface: 447.958	Hydrophilic surface: 121.659

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.