MMsINC Database Search


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MMsINC code: MMs02713973

Type: Neutral
Formula: C₁₅H₁₆ClNO₃S

SMILES:

Clc1ccc(cc1)CNS(=O)(=O)c1cc(C)c(OC)cc1

InChI:

InChI=1/C15H16ClNO3S/c1-11-9-14(7-8-15(11)20-2)21(18,19)17-10-12-3-5-13(16)6-4-12/h3-9,17H,10H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=32.5391 kcal/mol

Physical Properties
Molecular Weight: 325.816 g/mol	logS: -3.9359	SlogP: 3.40192	Reactive groups: 0

Topological Properties
Globularity: 0.131768	Sterimol/B1: 2.4977	Sterimol/B2: 3.28497	Sterimol/B3: 6.09835
Sterimol/B4: 6.19604	Sterimol/L: 16.77

Surface and Volume Properties
Accessible surface: 556.572	Positive charged surface: 298.477	Negative charged surface: 258.095	Volume: 287.25
Hydrophobic surface: 468.667	Hydrophilic surface: 87.905

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.