MMsINC Database Search


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MMsINC code: MMs00884801

Type: Neutral
Formula: C₁₆H₁₃ClN₂O₃S

SMILES:

Clc1cc(NS(=O)(=O)c2ccc(cc2)C)c2c(nccc2)c1O

InChI:

InChI=1/C16H13ClN2O3S/c1-10-4-6-11(7-5-10)23(21,22)19-14-9-13(17)16(20)15-12(14)3-2-8-18-15/h2-9,19-20H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.6096 kcal/mol

Physical Properties
Molecular Weight: 348.81 g/mol	logS: -4.48152	SlogP: 3.70302	Reactive groups: 0

Topological Properties
Globularity: 0.31993	Sterimol/B1: 2.18532	Sterimol/B2: 5.11889	Sterimol/B3: 5.87673
Sterimol/B4: 7.34628	Sterimol/L: 12.7503

Surface and Volume Properties
Accessible surface: 530.455	Positive charged surface: 263	Negative charged surface: 263.401	Volume: 293.5
Hydrophobic surface: 393.714	Hydrophilic surface: 136.741

Pharmacophoric Properties
Hydrogen bond donors: 2	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

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Ions/Tautomers related molecules: no related molecules available.