MMsINC Database Search


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MMsINC code: MMs02705176

Type: Neutral
Formula: C₁₅H₁₆ClNO₃S

SMILES:

Clc1cc(S(=O)(=O)NCCc2ccccc2)ccc1OC

InChI:

InChI=1/C15H16ClNO3S/c1-20-15-8-7-13(11-14(15)16)21(18,19)17-10-9-12-5-3-2-4-6-12/h2-8,11,17H,9-10H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=42.0951 kcal/mol

Physical Properties
Molecular Weight: 325.816 g/mol	logS: -3.8369	SlogP: 2.86957	Reactive groups: 0

Topological Properties
Globularity: 0.0933804	Sterimol/B1: 2.74095	Sterimol/B2: 3.03231	Sterimol/B3: 5.17202
Sterimol/B4: 7.44348	Sterimol/L: 15.1759

Surface and Volume Properties
Accessible surface: 563.409	Positive charged surface: 301.396	Negative charged surface: 262.013	Volume: 289.5
Hydrophobic surface: 475.207	Hydrophilic surface: 88.202

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.