MMsINC Database Search


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MMsINC code: MMs01972827

Type: Neutral
Formula: C₁₉H₁₃FN₂O₂

SMILES:

Fc1ccc(cc1)C(=O)NCc1c2c3c(ccc2)C(=O)Nc3cc1

InChI:

InChI=1/C19H13FN2O2/c20-13-7-4-11(5-8-13)18(23)21-10-12-6-9-16-17-14(12)2-1-3-15(17)19(24)22-16/h1-9H,10H2,(H,21,23)(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.6092 kcal/mol

Physical Properties
Molecular Weight: 320.323 g/mol	logS: -5.79626	SlogP: 3.741	Reactive groups: 0

Topological Properties
Globularity: 0.118657	Sterimol/B1: 2.34765	Sterimol/B2: 2.4802	Sterimol/B3: 5.54328
Sterimol/B4: 6.87504	Sterimol/L: 16.1152

Surface and Volume Properties
Accessible surface: 543.693	Positive charged surface: 279.541	Negative charged surface: 254.717	Volume: 288.875
Hydrophobic surface: 414.152	Hydrophilic surface: 129.541

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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.