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MMsINC code: MMs00491012

Type: Neutral
Formula: C₁₄H₁₁ClN₂O₄S

SMILES:

Clc1ccc(cc1S(=O)(=O)N)C1(O)NC(=O)c2c1cccc2

InChI:

InChI=1/C14H11ClN2O4S/c15-11-6-5-8(7-12(11)22(16,20)21)14(19)10-4-2-1-3-9(10)13(18)17-14/h1-7,19H,(H,17,18)(H2,16,20,21)/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=19.7359 kcal/mol

Physical Properties
Molecular Weight: 338.771 g/mol	logS: -4.23563	SlogP: 1.2357	Reactive groups: 0

Topological Properties
Globularity: 0.185146	Sterimol/B1: 2.80902	Sterimol/B2: 4.76391	Sterimol/B3: 5.01609
Sterimol/B4: 5.90792	Sterimol/L: 13.5075

Surface and Volume Properties
Accessible surface: 505.887	Positive charged surface: 227.034	Negative charged surface: 278.853	Volume: 267.625
Hydrophobic surface: 275.391	Hydrophilic surface: 230.496

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs00491013
CHEMBLOCK-ZINC00057255