MMsINC Database Search


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MMsINC code: MMs01650613

Type: Neutral
Formula: C₁₇H₁₀F₂O₂

SMILES:

Fc1cccc(F)c1\C=C\C(=O)c1oc2c(c1)cccc2

InChI:

InChI=1/C17H10F2O2/c18-13-5-3-6-14(19)12(13)8-9-15(20)17-10-11-4-1-2-7-16(11)21-17/h1-10H/b9-8+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.0837 kcal/mol

Physical Properties
Molecular Weight: 284.261 g/mol	logS: -6.15172	SlogP: 4.6071	Reactive groups: 1

Topological Properties
Globularity: 0.0244773	Sterimol/B1: 2.82849	Sterimol/B2: 3.35121	Sterimol/B3: 3.71278
Sterimol/B4: 4.94201	Sterimol/L: 16.4954

Surface and Volume Properties
Accessible surface: 510.287	Positive charged surface: 243.543	Negative charged surface: 260.9	Volume: 255.125
Hydrophobic surface: 467.459	Hydrophilic surface: 42.828

Pharmacophoric Properties
Hydrogen bond donors: 0	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.