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MMsINC code: MMs02027766

Type: Neutral
Formula: C₁₆H₁₁FO₃

SMILES:

Fc1ccc(cc1)\C=C\C(=O)c1ccccc1C(O)=O

InChI:

InChI=1/C16H11FO3/c17-12-8-5-11(6-9-12)7-10-15(18)13-3-1-2-4-14(13)16(19)20/h1-10H,(H,19,20)/b10-7+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.3188 kcal/mol

Physical Properties
Molecular Weight: 270.259 g/mol	logS: -4.22789	SlogP: 3.42	Reactive groups: 1

Topological Properties
Globularity: 0.111217	Sterimol/B1: 2.73308	Sterimol/B2: 3.11161	Sterimol/B3: 4.71488
Sterimol/B4: 6.45278	Sterimol/L: 14.8224

Surface and Volume Properties
Accessible surface: 490.244	Positive charged surface: 241.781	Negative charged surface: 248.463	Volume: 246.625
Hydrophobic surface: 382.49	Hydrophilic surface: 107.754

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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

MMs02027767
IFLAB-ZINC04194445