MMsINC Database Search


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MMsINC code: MMs01715795

Type: Neutral
Formula: C₁₈H₁₄ClFN₂O₄S

SMILES:

Clc1cccc(F)c1-c1noc(C)c1C(OCC(=O)NCc1sccc1)=O

InChI:

InChI=1/C18H14ClFN2O4S/c1-10-15(17(22-26-10)16-12(19)5-2-6-13(16)20)18(24)25-9-14(23)21-8-11-4-3-7-27-11/h2-7H,8-9H2,1H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.987 kcal/mol

Physical Properties
Molecular Weight: 408.837 g/mol	logS: -5.89794	SlogP: 4.24362	Reactive groups: 0

Topological Properties
Globularity: 0.066388	Sterimol/B1: 2.16764	Sterimol/B2: 3.67388	Sterimol/B3: 4.66158
Sterimol/B4: 10.3776	Sterimol/L: 17.0982

Surface and Volume Properties
Accessible surface: 659.374	Positive charged surface: 299.594	Negative charged surface: 359.78	Volume: 341.5
Hydrophobic surface: 556.756	Hydrophilic surface: 102.618

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.