MMsINC Database Search


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MMsINC code: MMs03783209

Type: Neutral
Formula: C₁₃H₈Cl₂FNO₂

SMILES:

Clc1cc(NC(=O)c2cc(F)ccc2O)ccc1Cl

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.9669 kcal/mol

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

Topological Properties
Globularity: 0.0153915	Sterimol/B1: 2.20183	Sterimol/B2: 2.77403	Sterimol/B3: 3.08014
Sterimol/B4: 6.09348	Sterimol/L: 15.4423

Surface and Volume Properties
Accessible surface: 474.658	Positive charged surface: 189.229	Negative charged surface: 285.429	Volume: 241.5
Hydrophobic surface: 400.591	Hydrophilic surface: 74.067

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.