MMsINC Database Search


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MMsINC code: MMs02521219

Type: Neutral
Formula: C₁₄H₁₀ClFO₃

SMILES:

Clc1cccc(F)c1CC(=O)c1ccc(O)cc1O

InChI:

InChI=1/C14H10ClFO3/c15-11-2-1-3-12(16)10(11)7-14(19)9-5-4-8(17)6-13(9)18/h1-6,17-18H,7H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.0841 kcal/mol

Physical Properties
Molecular Weight: 280.682 g/mol	logS: -3.82453	SlogP: 3.31567	Reactive groups: 0

Topological Properties
Globularity: 0.088755	Sterimol/B1: 3.63278	Sterimol/B2: 4.00643	Sterimol/B3: 4.00868
Sterimol/B4: 4.89447	Sterimol/L: 14.8365

Surface and Volume Properties
Accessible surface: 467.172	Positive charged surface: 226.434	Negative charged surface: 240.738	Volume: 239.375
Hydrophobic surface: 356.318	Hydrophilic surface: 110.854

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: no related molecules available.