MMsINC Database Search


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MMsINC code: MMs03147863

Type: Neutral
Formula: C₁₉H₁₄F₂O

SMILES:

Fc1ccc(cc1)-c1ccc(cc1)C(O)c1ccc(F)cc1

InChI:

InChI=1/C19H14F2O/c20-17-9-5-14(6-10-17)13-1-3-15(4-2-13)19(22)16-7-11-18(21)12-8-16/h1-12,19,22H/t19-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.1498 kcal/mol

Physical Properties
Molecular Weight: 296.316 g/mol	logS: -5.94014	SlogP: 4.809	Reactive groups: 0

Topological Properties
Globularity: 0.100213	Sterimol/B1: 2.46374	Sterimol/B2: 3.63256	Sterimol/B3: 4.95462
Sterimol/B4: 5.03863	Sterimol/L: 15.7697

Surface and Volume Properties
Accessible surface: 514.997	Positive charged surface: 225.983	Negative charged surface: 277.942	Volume: 278.125
Hydrophobic surface: 475.939	Hydrophilic surface: 39.058

Pharmacophoric Properties
Hydrogen bond donors: 1	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.