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MMsINC code: MMs02568188

Type: Ionized
Formula: C₁₄H₁₀Cl₂NO₄S-

SMILES:

Clc1cc(S(=O)(=O)N(C)c2ccccc2C(=O)[O-])ccc1Cl

InChI:

InChI=1/C14H11Cl2NO4S/c1-17(13-5-3-2-4-10(13)14(18)19)22(20,21)9-6-7-11(15)12(16)8-9/h2-8H,1H3,(H,18,19)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.3893 kcal/mol

Physical Properties
Molecular Weight: 359.209 g/mol	logS: -4.82073	SlogP: 2.182	Reactive groups: 0

Topological Properties
Globularity: 0.20984	Sterimol/B1: 2.21199	Sterimol/B2: 2.52983	Sterimol/B3: 5.54343
Sterimol/B4: 6.96498	Sterimol/L: 13.0582

Surface and Volume Properties
Accessible surface: 510.881	Positive charged surface: 192.034	Negative charged surface: 318.847	Volume: 285.125
Hydrophobic surface: 384.479	Hydrophilic surface: 126.402

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 2	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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Parent related molecule:

MMs02568187
OTAVA-ZINC01926218