MMsINC Database Search


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MMsINC code: MMs02663289

Type: Neutral
Formula: C₁₃H₈Cl₂FNO₂

SMILES:

Clc1cc(NC(=O)c2ccccc2F)cc(Cl)c1O

InChI:

InChI=1/C13H8Cl2FNO2/c14-9-5-7(6-10(15)12(9)18)17-13(19)8-3-1-2-4-11(8)16/h1-6,18H,(H,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.2901 kcal/mol

Physical Properties
Molecular Weight: 300.116 g/mol	logS: -4.75648	SlogP: 4.0904	Reactive groups: 0

Topological Properties
Globularity: 0.0154994	Sterimol/B1: 2.34705	Sterimol/B2: 3.16602	Sterimol/B3: 3.3224
Sterimol/B4: 6.05305	Sterimol/L: 14.8464

Surface and Volume Properties
Accessible surface: 478.261	Positive charged surface: 188.85	Negative charged surface: 289.411	Volume: 240.75
Hydrophobic surface: 405.372	Hydrophilic surface: 72.889

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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.