MMsINC Database Search


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MMsINC code: MMs01975517

Type: Neutral
Formula: C₁₉H₁₇FN₂O₃

SMILES:

Fc1cc2c(ncc(C(OCC)=O)c2Nc2ccc(OC)cc2)cc1

InChI:

InChI=1/C19H17FN2O3/c1-3-25-19(23)16-11-21-17-9-4-12(20)10-15(17)18(16)22-13-5-7-14(24-2)8-6-13/h4-11H,3H2,1-2H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.221 kcal/mol

Physical Properties
Molecular Weight: 340.354 g/mol	logS: -4.64804	SlogP: 4.3028	Reactive groups: 0

Topological Properties
Globularity: 0.206698	Sterimol/B1: 3.1294	Sterimol/B2: 5.08516	Sterimol/B3: 6.45282
Sterimol/B4: 7.34321	Sterimol/L: 14.1541

Surface and Volume Properties
Accessible surface: 585.095	Positive charged surface: 392.903	Negative charged surface: 188.913	Volume: 314.5
Hydrophobic surface: 495.964	Hydrophilic surface: 89.131

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.