MMsINC Database Search


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MMsINC code: MMs02215864

Type: Neutral
Formula: C₁₄H₁₁ClFNO₂

SMILES:

Clc1ccc(OC(=O)Nc2ccccc2F)cc1C

InChI:

InChI=1/C14H11ClFNO2/c1-9-8-10(6-7-11(9)15)19-14(18)17-13-5-3-2-4-12(13)16/h2-8H,1H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.7526 kcal/mol

Physical Properties
Molecular Weight: 279.698 g/mol	logS: -4.58586	SlogP: 4.39842	Reactive groups: 0

Topological Properties
Globularity: 0.0938432	Sterimol/B1: 2.18752	Sterimol/B2: 3.51796	Sterimol/B3: 4.52131
Sterimol/B4: 6.43995	Sterimol/L: 15.3687

Surface and Volume Properties
Accessible surface: 494.636	Positive charged surface: 240.235	Negative charged surface: 254.4	Volume: 242.375
Hydrophobic surface: 443.843	Hydrophilic surface: 50.793

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.