MMsINC Database Search


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MMsINC code: MMs02696291

Type: Neutral
Formula: C₁₉H₁₉FO₂

SMILES:

Fc1ccc(cc1)\C=C\C(Oc1ccc(cc1)C(CC)C)=O

InChI:

InChI=1/C19H19FO2/c1-3-14(2)16-7-11-18(12-8-16)22-19(21)13-6-15-4-9-17(20)10-5-15/h4-14H,3H2,1-2H3/b13-6+/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.2065 kcal/mol

Physical Properties
Molecular Weight: 298.357 g/mol	logS: -6.31932	SlogP: 4.958	Reactive groups: 0

Topological Properties
Globularity: 0.0282613	Sterimol/B1: 2.56615	Sterimol/B2: 3.05126	Sterimol/B3: 4.16643
Sterimol/B4: 5.04049	Sterimol/L: 19.6505

Surface and Volume Properties
Accessible surface: 579.601	Positive charged surface: 319.404	Negative charged surface: 260.197	Volume: 301.625
Hydrophobic surface: 501.581	Hydrophilic surface: 78.02

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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: no related molecules available.