MMsINC Database Search


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

MMsINC code: MMs00115504

Type: Neutral
Formula: C₁₄H₁₄ClNO₃S

SMILES:

Clc1cc(S(=O)(=O)NCc2ccccc2)c(OC)cc1

InChI:

InChI=1/C14H14ClNO3S/c1-19-13-8-7-12(15)9-14(13)20(17,18)16-10-11-5-3-2-4-6-11/h2-9,16H,10H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=31.0511 kcal/mol

Physical Properties
Molecular Weight: 311.789 g/mol	logS: -3.77543	SlogP: 3.0935	Reactive groups: 0

Topological Properties
Globularity: 0.143185	Sterimol/B1: 2.00212	Sterimol/B2: 3.84581	Sterimol/B3: 4.8811
Sterimol/B4: 7.50295	Sterimol/L: 15.0716

Surface and Volume Properties
Accessible surface: 520.328	Positive charged surface: 254.109	Negative charged surface: 266.219	Volume: 269.25
Hydrophobic surface: 437.926	Hydrophilic surface: 82.402

Pharmacophoric Properties
Hydrogen bond donors: 1	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.