MMsINC Database Search


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MMsINC code: MMs02694538

Type: Neutral
Formula: C₁₈H₁₇FO₂

SMILES:

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

InChI:

InChI=1/C18H17FO2/c1-13(2)15-6-10-17(11-7-15)21-18(20)12-5-14-3-8-16(19)9-4-14/h3-13H,1-2H3/b12-5+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.2338 kcal/mol

Physical Properties
Molecular Weight: 284.33 g/mol	logS: -5.8041	SlogP: 4.5679	Reactive groups: 0

Topological Properties
Globularity: 0.0310401	Sterimol/B1: 2.84929	Sterimol/B2: 3.49573	Sterimol/B3: 3.56585
Sterimol/B4: 4.80652	Sterimol/L: 19.046

Surface and Volume Properties
Accessible surface: 556.868	Positive charged surface: 297.918	Negative charged surface: 258.95	Volume: 281.75
Hydrophobic surface: 481.921	Hydrophilic surface: 74.947

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.