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MMsINC code: MMs00113012

Type: Neutral
Formula: C₁₅H₁₃FO₂

SMILES:

Fc1ccc(cc1)CC(C(O)=O)c1ccccc1

InChI:

InChI=1/C15H13FO2/c16-13-8-6-11(7-9-13)10-14(15(17)18)12-4-2-1-3-5-12/h1-9,14H,10H2,(H,17,18)/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.5689 kcal/mol

Physical Properties
Molecular Weight: 244.265 g/mol	logS: -3.41466	SlogP: 3.23657	Reactive groups: 0

Topological Properties
Globularity: 0.0835896	Sterimol/B1: 2.64439	Sterimol/B2: 3.57968	Sterimol/B3: 3.78035
Sterimol/B4: 3.9662	Sterimol/L: 14.5277

Surface and Volume Properties
Accessible surface: 453.136	Positive charged surface: 241.579	Negative charged surface: 211.557	Volume: 231.375
Hydrophobic surface: 386.196	Hydrophilic surface: 66.94

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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

MMs00113013
ASINEX-ZINC00299128