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MMsINC code: MMs03727862

Type: Neutral
Formula: C₁₉H₁₅FO₂

SMILES:

Fc1ccc(cc1)C(C)c1ccc2c(cccc2)c1C(O)=O

InChI:

InChI=1/C19H15FO2/c1-12(13-6-9-15(20)10-7-13)16-11-8-14-4-2-3-5-17(14)18(16)19(21)22/h2-12H,1H3,(H,21,22)/t12-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.0021 kcal/mol

Physical Properties
Molecular Weight: 294.325 g/mol	logS: -6.15874	SlogP: 4.8289	Reactive groups: 0

Topological Properties
Globularity: 0.190791	Sterimol/B1: 2.1574	Sterimol/B2: 4.84523	Sterimol/B3: 5.02623
Sterimol/B4: 6.41038	Sterimol/L: 13.8938

Surface and Volume Properties
Accessible surface: 506.435	Positive charged surface: 252.767	Negative charged surface: 241.742	Volume: 279.25
Hydrophobic surface: 416.515	Hydrophilic surface: 89.92

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs03727863
PUBCHEM-ZINC06437383