MMsINC Database Search


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MMsINC code: MMs02664305

Type: Neutral
Formula: C₁₅H₁₄ClNO₄S

SMILES:

Clc1ccc(cc1NS(=O)(=O)c1ccccc1C)C(OC)=O

InChI:

InChI=1/C15H14ClNO4S/c1-10-5-3-4-6-14(10)22(19,20)17-13-9-11(15(18)21-2)7-8-12(13)16/h3-9,17H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.0248 kcal/mol

Physical Properties
Molecular Weight: 339.799 g/mol	logS: -4.32321	SlogP: 3.23582	Reactive groups: 0

Topological Properties
Globularity: 0.136697	Sterimol/B1: 2.54689	Sterimol/B2: 5.53188	Sterimol/B3: 5.79444
Sterimol/B4: 6.5439	Sterimol/L: 13.147

Surface and Volume Properties
Accessible surface: 522.151	Positive charged surface: 278.261	Negative charged surface: 243.89	Volume: 286.75
Hydrophobic surface: 430.102	Hydrophilic surface: 92.049

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.