MMsINC Database Search


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MMsINC code: MMs02634575

Type: Neutral
Formula: C₁₈H₁₇FO₂

SMILES:

Fc1ccc(cc1)\C=C\C(Oc1ccccc1C(C)C)=O

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.0939 kcal/mol

Physical Properties
Molecular Weight: 284.33 g/mol	logS: -5.49065	SlogP: 4.5679	Reactive groups: 0

Topological Properties
Globularity: 0.0864364	Sterimol/B1: 2.47292	Sterimol/B2: 2.76079	Sterimol/B3: 4.93816
Sterimol/B4: 7.2482	Sterimol/L: 16.5482

Surface and Volume Properties
Accessible surface: 538.672	Positive charged surface: 286.341	Negative charged surface: 252.332	Volume: 283.625
Hydrophobic surface: 471.613	Hydrophilic surface: 67.059

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.