MMsINC Database Search


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MMsINC code: MMs00767308

Type: Neutral
Formula: C₁₅H₁₀F₂O₂

SMILES:

Fc1cc(C(=O)\C=C\c2ccc(F)cc2)c(O)cc1

InChI:

InChI=1/C15H10F2O2/c16-11-4-1-10(2-5-11)3-7-14(18)13-9-12(17)6-8-15(13)19/h1-9,19H/b7-3+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.0831 kcal/mol

Physical Properties
Molecular Weight: 260.239 g/mol	logS: -4.19152	SlogP: 3.5665	Reactive groups: 1

Topological Properties
Globularity: 0.00160343	Sterimol/B1: 2.15456	Sterimol/B2: 2.18556	Sterimol/B3: 2.85195
Sterimol/B4: 5.89987	Sterimol/L: 14.9952

Surface and Volume Properties
Accessible surface: 464.984	Positive charged surface: 209.815	Negative charged surface: 255.169	Volume: 233.875
Hydrophobic surface: 393.613	Hydrophilic surface: 71.371

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.