MMsINC Database Search


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MMsINC code: MMs01503706

Type: Neutral
Formula: C₁₉H₂₁NO₄S

SMILES:

S(=O)(=O)(N1CCCCCC1)c1cc(ccc1)C(Oc1ccccc1)=O

InChI:

InChI=1/C19H21NO4S/c21-19(24-17-10-4-3-5-11-17)16-9-8-12-18(15-16)25(22,23)20-13-6-1-2-7-14-20/h3-5,8-12,15H,1-2,6-7,13-14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.304 kcal/mol

Physical Properties
Molecular Weight: 359.446 g/mol	logS: -4.36842	SlogP: 3.4705	Reactive groups: 0

Topological Properties
Globularity: 0.0437883	Sterimol/B1: 3.15007	Sterimol/B2: 3.15457	Sterimol/B3: 4.20344
Sterimol/B4: 7.2235	Sterimol/L: 17.9817

Surface and Volume Properties
Accessible surface: 600.643	Positive charged surface: 356.794	Negative charged surface: 243.849	Volume: 333.5
Hydrophobic surface: 521.446	Hydrophilic surface: 79.197

Pharmacophoric Properties
Hydrogen bond donors: 0	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.