MMsINC Database Search


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MMsINC code: MMs03159528

Type: Neutral
Formula: C₁₁H₆ClFO₂

SMILES:

ClC(=O)c1oc(cc1)-c1ccc(F)cc1

InChI:

InChI=1/C11H6ClFO2/c12-11(14)10-6-5-9(15-10)7-1-3-8(13)4-2-7/h1-6H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=43.2453 kcal/mol

Physical Properties
Molecular Weight: 224.618 g/mol	logS: -4.95276	SlogP: 3.4647	Reactive groups: 1

Topological Properties
Globularity: 2.03131e-07	Sterimol/B1: 2.097	Sterimol/B2: 2.09986	Sterimol/B3: 2.76191
Sterimol/B4: 5.10073	Sterimol/L: 13.9802

Surface and Volume Properties
Accessible surface: 398.251	Positive charged surface: 148.486	Negative charged surface: 249.765	Volume: 187.75
Hydrophobic surface: 276.688	Hydrophilic surface: 121.563

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.