MMsINC Database Search


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MMsINC code: MMs02763515

Type: Neutral
Formula: C₁₄H₂₀ClNO₃S

SMILES:

Clc1cc(S(=O)(=O)NC2CCCCC2C)c(OC)cc1

InChI:

InChI=1/C14H20ClNO3S/c1-10-5-3-4-6-12(10)16-20(17,18)14-9-11(15)7-8-13(14)19-2/h7-10,12,16H,3-6H2,1-2H3/t10-,12+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=22.683 kcal/mol

Physical Properties
Molecular Weight: 317.837 g/mol	logS: -3.68044	SlogP: 3.2056	Reactive groups: 0

Topological Properties
Globularity: 0.206545	Sterimol/B1: 3.64326	Sterimol/B2: 4.05365	Sterimol/B3: 4.53668
Sterimol/B4: 6.22393	Sterimol/L: 12.4832

Surface and Volume Properties
Accessible surface: 500.219	Positive charged surface: 296.595	Negative charged surface: 203.624	Volume: 281.25
Hydrophobic surface: 419.744	Hydrophilic surface: 80.475

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.