MMsINC Database Search


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MMsINC code: MMs02676962

Type: Neutral
Formula: C₁₉H₂₂FNO₂

SMILES:

Fc1ccc(cc1)C(=O)Nc1cc(C(C)C)c(O)c(c1)C(C)C

InChI:

InChI=1/C19H22FNO2/c1-11(2)16-9-15(10-17(12(3)4)18(16)22)21-19(23)13-5-7-14(20)8-6-13/h5-12,22H,1-4H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.6457 kcal/mol

Physical Properties
Molecular Weight: 315.388 g/mol	logS: -5.66972	SlogP: 5.0304	Reactive groups: 0

Topological Properties
Globularity: 0.0865043	Sterimol/B1: 2.53278	Sterimol/B2: 2.79212	Sterimol/B3: 4.80784
Sterimol/B4: 8.79432	Sterimol/L: 15.0408

Surface and Volume Properties
Accessible surface: 584.39	Positive charged surface: 357.492	Negative charged surface: 226.898	Volume: 315.875
Hydrophobic surface: 437.787	Hydrophilic surface: 146.603

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.