MMsINC Database Search


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MMsINC code: MMs02903819

Type: Neutral
Formula: C₁₁H₆ClFO₂

SMILES:

ClC(=O)c1oc(cc1)-c1ccccc1F

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=46.4225 kcal/mol

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

Topological Properties
Globularity: 0.044162	Sterimol/B1: 2.41493	Sterimol/B2: 2.58242	Sterimol/B3: 3.25055
Sterimol/B4: 4.68608	Sterimol/L: 13.7008

Surface and Volume Properties
Accessible surface: 401.443	Positive charged surface: 154.102	Negative charged surface: 247.341	Volume: 186.625
Hydrophobic surface: 276.456	Hydrophilic surface: 124.987

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.