MMsINC Database Search


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MMsINC code: MMs03827706

Type: Neutral
Formula: C₁₅H₁₅ClFNO₃S

SMILES:

Clc1cc(F)ccc1S(=O)(=O)N(CC(O)c1ccccc1)C

InChI:

InChI=1/C15H15ClFNO3S/c1-18(10-14(19)11-5-3-2-4-6-11)22(20,21)15-8-7-12(17)9-13(15)16/h2-9,14,19H,10H2,1H3/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.9512 kcal/mol

Physical Properties
Molecular Weight: 343.806 g/mol	logS: -3.89307	SlogP: 2.9287	Reactive groups: 0

Topological Properties
Globularity: 0.0973601	Sterimol/B1: 2.03604	Sterimol/B2: 3.52632	Sterimol/B3: 4.01208
Sterimol/B4: 7.43945	Sterimol/L: 14.818

Surface and Volume Properties
Accessible surface: 514.713	Positive charged surface: 251.92	Negative charged surface: 262.793	Volume: 288
Hydrophobic surface: 438.726	Hydrophilic surface: 75.987

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.