MMsINC Database Search


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

MMsINC code: MMs01338205

Type: Neutral
Formula: C₁₅H₁₀ClNO₄S

SMILES:

Clc1ccc(cc1)C(=O)CN1S(=O)(=O)c2c(cccc2)C1=O

InChI:

InChI=1/C15H10ClNO4S/c16-11-7-5-10(6-8-11)13(18)9-17-15(19)12-3-1-2-4-14(12)22(17,20)21/h1-8H,9H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.9203 kcal/mol

Physical Properties
Molecular Weight: 335.767 g/mol	logS: -4.66001	SlogP: 2.3674	Reactive groups: 0

Topological Properties
Globularity: 0.0683017	Sterimol/B1: 2.48358	Sterimol/B2: 3.05837	Sterimol/B3: 4.12884
Sterimol/B4: 5.62178	Sterimol/L: 17.5182

Surface and Volume Properties
Accessible surface: 524.952	Positive charged surface: 208.266	Negative charged surface: 316.685	Volume: 273.75
Hydrophobic surface: 395.881	Hydrophilic surface: 129.071

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.