MMsINC Database Search


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MMsINC code: MMs03712606

Type: Neutral
Formula: C₁₅H₁₆ClNO₃S

SMILES:

Clc1ccc(S(=O)(=O)NC(C(O)c2ccccc2)C)cc1

InChI:

InChI=1/C15H16ClNO3S/c1-11(15(18)12-5-3-2-4-6-12)17-21(19,20)14-9-7-13(16)8-10-14/h2-11,15,17-18H,1H3/t11-,15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.3923 kcal/mol

Physical Properties
Molecular Weight: 325.816 g/mol	logS: -3.84972	SlogP: 2.8359	Reactive groups: 0

Topological Properties
Globularity: 0.125629	Sterimol/B1: 2.66003	Sterimol/B2: 2.79288	Sterimol/B3: 4.55956
Sterimol/B4: 7.64443	Sterimol/L: 13.594

Surface and Volume Properties
Accessible surface: 518.469	Positive charged surface: 232.868	Negative charged surface: 285.6	Volume: 285.125
Hydrophobic surface: 394.535	Hydrophilic surface: 123.934

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.