MMsINC Database Search


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MMsINC code: MMs01511566

Type: Neutral
Formula: C₁₄H₁₁ClFNO₃S

SMILES:

Clc1cc(F)c(NC(=O)c2cc(S(=O)(=O)C)ccc2)cc1

InChI:

InChI=1/C14H11ClFNO3S/c1-21(19,20)11-4-2-3-9(7-11)14(18)17-13-6-5-10(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)=70.8664 kcal/mol

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

Topological Properties
Globularity: 0.0281058	Sterimol/B1: 2.19159	Sterimol/B2: 2.62759	Sterimol/B3: 4.2334
Sterimol/B4: 6.38651	Sterimol/L: 16.5756

Surface and Volume Properties
Accessible surface: 520.085	Positive charged surface: 212.503	Negative charged surface: 307.582	Volume: 266.25
Hydrophobic surface: 416.332	Hydrophilic surface: 103.753

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.