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MMsINC code: MMs03245240

Type: Neutral
Formula: C₁₆H₁₂ClFO₃

SMILES:

Clc1ccc(cc1)C(=O)CC(C(O)=O)c1ccc(F)cc1

InChI:

InChI=1/C16H12ClFO3/c17-12-5-1-11(2-6-12)15(19)9-14(16(20)21)10-3-7-13(18)8-4-10/h1-8,14H,9H2,(H,20,21)/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.8821 kcal/mol

Physical Properties
Molecular Weight: 306.72 g/mol	logS: -4.30075	SlogP: 3.9203	Reactive groups: 0

Topological Properties
Globularity: 0.0819456	Sterimol/B1: 2.37285	Sterimol/B2: 4.60122	Sterimol/B3: 4.6085
Sterimol/B4: 4.65829	Sterimol/L: 16.057

Surface and Volume Properties
Accessible surface: 510.468	Positive charged surface: 236.145	Negative charged surface: 274.324	Volume: 266.5
Hydrophobic surface: 415.581	Hydrophilic surface: 94.887

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

MMs03245241
PUBCHEM-ZINC05344491