MMsINC Database Search


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MMsINC code: MMs00122206

Type: Neutral
Formula: C₁₉H₁₅FN₂O₃

SMILES:

Fc1cc(NC(=O)C=2C(=O)N(c3c(cccc3)C=2O)CC=C)ccc1

InChI:

InChI=1/C19H15FN2O3/c1-2-10-22-15-9-4-3-8-14(15)17(23)16(19(22)25)18(24)21-13-7-5-6-12(20)11-13/h2-9,11,23H,1,10H2,(H,21,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.7167 kcal/mol

Physical Properties
Molecular Weight: 338.338 g/mol	logS: -4.58051	SlogP: 3.2661	Reactive groups: 0

Topological Properties
Globularity: 0.0232737	Sterimol/B1: 2.097	Sterimol/B2: 2.38734	Sterimol/B3: 3.5244
Sterimol/B4: 9.36331	Sterimol/L: 15.9966

Surface and Volume Properties
Accessible surface: 565.514	Positive charged surface: 301.007	Negative charged surface: 264.508	Volume: 307
Hydrophobic surface: 423.714	Hydrophilic surface: 141.8

Pharmacophoric Properties
Hydrogen bond donors: 2	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.