MMsINC Database Search


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MMsINC code: MMs01411733

Type: Neutral
Formula: C₁₄H₁₁ClFNO₃S

SMILES:

Clc1cc(NC(=O)c2ccccc2S(=O)(=O)C)ccc1F

InChI:

InChI=1/C14H11ClFNO3S/c1-21(19,20)13-5-3-2-4-10(13)14(18)17-9-6-7-12(16)11(15)8-9/h2-8H,1H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.3398 kcal/mol

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

Topological Properties
Globularity: 0.0745547	Sterimol/B1: 2.26115	Sterimol/B2: 2.53668	Sterimol/B3: 5.22237
Sterimol/B4: 7.28737	Sterimol/L: 14.3408

Surface and Volume Properties
Accessible surface: 508.862	Positive charged surface: 211.496	Negative charged surface: 297.366	Volume: 263.75
Hydrophobic surface: 435.536	Hydrophilic surface: 73.326

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.