MMsINC Database Search


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MMsINC code: MMs00845421

Type: Neutral
Formula: C₁₃H₁₀ClNO₃S

SMILES:

Clc1ccc(S(=O)(=O)NC(=O)c2ccccc2)cc1

InChI:

InChI=1/C13H10ClNO3S/c14-11-6-8-12(9-7-11)19(17,18)15-13(16)10-4-2-1-3-5-10/h1-9H,(H,15,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=20.3254 kcal/mol

Physical Properties
Molecular Weight: 295.746 g/mol	logS: -4.31225	SlogP: 2.4587	Reactive groups: 0

Topological Properties
Globularity: 0.12043	Sterimol/B1: 3.15714	Sterimol/B2: 3.64406	Sterimol/B3: 5.20555
Sterimol/B4: 5.24892	Sterimol/L: 14.4422

Surface and Volume Properties
Accessible surface: 482.586	Positive charged surface: 189.459	Negative charged surface: 293.126	Volume: 245.625
Hydrophobic surface: 389.145	Hydrophilic surface: 93.441

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.