MMsINC Database Search


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MMsINC code: MMs00348257

Type: Neutral
Formula: C₁₇H₁₂N₂O₃

SMILES:

o1cccc1C(=O)Nc1ccc(cc1)C(=O)c1ccncc1

InChI:

InChI=1/C17H12N2O3/c20-16(13-7-9-18-10-8-13)12-3-5-14(6-4-12)19-17(21)15-2-1-11-22-15/h1-11H,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.7223 kcal/mol

Physical Properties
Molecular Weight: 292.294 g/mol	logS: -3.92111	SlogP: 3.1579	Reactive groups: 0

Topological Properties
Globularity: 0.0253451	Sterimol/B1: 2.73069	Sterimol/B2: 3.05881	Sterimol/B3: 3.97229
Sterimol/B4: 4.54825	Sterimol/L: 18.2759

Surface and Volume Properties
Accessible surface: 522.683	Positive charged surface: 300.386	Negative charged surface: 222.296	Volume: 268.875
Hydrophobic surface: 416.533	Hydrophilic surface: 106.15

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.