MMsINC Database Search


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MMsINC code: MMs01647436

Type: Neutral
Formula: C₁₉H₁₇FN₂O

SMILES:

Fc1cc(NCC(=O)Nc2c3c(ccc2)cccc3)ccc1C

InChI:

InChI=1/C19H17FN2O/c1-13-9-10-15(11-17(13)20)21-12-19(23)22-18-8-4-6-14-5-2-3-7-16(14)18/h2-11,21H,12H2,1H3,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.28 kcal/mol

Physical Properties
Molecular Weight: 308.356 g/mol	logS: -5.5111	SlogP: 4.33792	Reactive groups: 0

Topological Properties
Globularity: 0.0136582	Sterimol/B1: 2.57113	Sterimol/B2: 2.96214	Sterimol/B3: 4.32405
Sterimol/B4: 5.68703	Sterimol/L: 18.2558

Surface and Volume Properties
Accessible surface: 571.732	Positive charged surface: 316.479	Negative charged surface: 243.582	Volume: 300.5
Hydrophobic surface: 513.749	Hydrophilic surface: 57.983

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 1	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.