MMsINC Database Search


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MMsINC code: MMs01505398

Type: Neutral
Formula: C₁₅H₁₄ClNO₃S

SMILES:

Clc1cc(NC(=O)c2ccc(S(=O)(=O)C)cc2)ccc1C

InChI:

InChI=1/C15H14ClNO3S/c1-10-3-6-12(9-14(10)16)17-15(18)11-4-7-13(8-5-11)21(2,19)20/h3-9H,1-2H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.2978 kcal/mol

Physical Properties
Molecular Weight: 323.8 g/mol	logS: -4.39032	SlogP: 3.30422	Reactive groups: 0

Topological Properties
Globularity: 0.0250824	Sterimol/B1: 3.07013	Sterimol/B2: 3.64885	Sterimol/B3: 3.95552
Sterimol/B4: 4.50473	Sterimol/L: 17.5295

Surface and Volume Properties
Accessible surface: 545.61	Positive charged surface: 248.232	Negative charged surface: 297.378	Volume: 281.875
Hydrophobic surface: 441.711	Hydrophilic surface: 103.899

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.