MMsINC Database Search


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MMsINC code: MMs03179083

Type: Neutral
Formula: C₁₅H₁₆ClNO₃S

SMILES:

Clc1cc(S(=O)(=O)NCc2ccc(cc2)C)c(OC)cc1

InChI:

InChI=1/C15H16ClNO3S/c1-11-3-5-12(6-4-11)10-17-21(18,19)15-9-13(16)7-8-14(15)20-2/h3-9,17H,10H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=33.6429 kcal/mol

Physical Properties
Molecular Weight: 325.816 g/mol	logS: -4.24935	SlogP: 3.40192	Reactive groups: 0

Topological Properties
Globularity: 0.113971	Sterimol/B1: 3.18163	Sterimol/B2: 4.72701	Sterimol/B3: 4.77587
Sterimol/B4: 5.23519	Sterimol/L: 15.9782

Surface and Volume Properties
Accessible surface: 546.015	Positive charged surface: 275.378	Negative charged surface: 270.637	Volume: 285.25
Hydrophobic surface: 465.284	Hydrophilic surface: 80.731

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.