MMsINC Database Search


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MMsINC code: MMs00020405

Type: Neutral
Formula: C₇H₅ClFNO

SMILES:

Clc1cccc(C(=O)N)c1F

InChI:

InChI=1/C7H5ClFNO/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,(H2,10,11)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=24.0846 kcal/mol

Physical Properties
Molecular Weight: 173.574 g/mol	logS: -2.66627	SlogP: 1.578	Reactive groups: 0

Topological Properties
Globularity: 2.04461e-07	Sterimol/B1: 2.097	Sterimol/B2: 2.09889	Sterimol/B3: 2.53365
Sterimol/B4: 5.53312	Sterimol/L: 10.2806

Surface and Volume Properties
Accessible surface: 314.335	Positive charged surface: 133.047	Negative charged surface: 181.288	Volume: 138.75
Hydrophobic surface: 216.616	Hydrophilic surface: 97.719

Pharmacophoric Properties
Hydrogen bond donors: 1	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.