MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs00059768

Type: Neutral
Formula: C₁₅H₁₆ClNO₂S

SMILES:

Clc1ccc(S(=O)(=O)N(Cc2ccccc2)CC)cc1

InChI:

InChI=1/C15H16ClNO2S/c1-2-17(12-13-6-4-3-5-7-13)20(18,19)15-10-8-14(16)9-11-15/h3-11H,2,12H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=36.3414 kcal/mol

Physical Properties
Molecular Weight: 309.817 g/mol	logS: -4.12784	SlogP: 3.8172	Reactive groups: 0

Topological Properties
Globularity: 0.0869102	Sterimol/B1: 2.5642	Sterimol/B2: 2.80357	Sterimol/B3: 4.72155
Sterimol/B4: 6.7345	Sterimol/L: 16.011

Surface and Volume Properties
Accessible surface: 511.033	Positive charged surface: 244.839	Negative charged surface: 266.194	Volume: 281.25
Hydrophobic surface: 440.447	Hydrophilic surface: 70.586

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.