MMsINC Database Search


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MMsINC code: MMs01382759

Type: Neutral
Formula: C₁₄H₁₁ClFNO₃S

SMILES:

Clc1cc(F)c(NC(=O)c2ccc(S(=O)(=O)C)cc2)cc1

InChI:

InChI=1/C14H11ClFNO3S/c1-21(19,20)11-5-2-9(3-6-11)14(18)17-13-7-4-10(15)8-12(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)=73.3151 kcal/mol

Physical Properties
Molecular Weight: 327.763 g/mol	logS: -4.52483	SlogP: 3.1349	Reactive groups: 0

Topological Properties
Globularity: 0.0308704	Sterimol/B1: 2.26129	Sterimol/B2: 3.44015	Sterimol/B3: 4.42673
Sterimol/B4: 4.59229	Sterimol/L: 17.7276

Surface and Volume Properties
Accessible surface: 516.477	Positive charged surface: 210.694	Negative charged surface: 305.783	Volume: 266.5
Hydrophobic surface: 413.876	Hydrophilic surface: 102.601

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.