MMsINC Database Search


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MMsINC code: MMs02118345

Type: Neutral
Formula: C₁₄H₁₀ClFO₃

SMILES:

Clc1cccc(F)c1Cc1c(O)c(ccc1O)C=O

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.7522 kcal/mol

Physical Properties
Molecular Weight: 280.682 g/mol	logS: -3.49929	SlogP: 3.29357	Reactive groups: 1

Topological Properties
Globularity: 0.14567	Sterimol/B1: 2.12651	Sterimol/B2: 3.5837	Sterimol/B3: 4.78619
Sterimol/B4: 5.36847	Sterimol/L: 12.4163

Surface and Volume Properties
Accessible surface: 434.039	Positive charged surface: 231.256	Negative charged surface: 202.784	Volume: 234
Hydrophobic surface: 326.099	Hydrophilic surface: 107.94

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.