MMsINC Database Search


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MMsINC code: MMs00204160

Type: Neutral
Formula: C₁₉H₂₄N₂O₅S

SMILES:

S(=O)(=O)(N(CC(=O)Nc1cc(ccc1OC)C)c1cc(ccc1OC)C)C

InChI:

InChI=1/C19H24N2O5S/c1-13-6-8-17(25-3)15(10-13)20-19(22)12-21(27(5,23)24)16-11-14(2)7-9-18(16)26-4/h6-11H,12H2,1-5H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=128.393 kcal/mol

Physical Properties
Molecular Weight: 392.476 g/mol	logS: -4.34347	SlogP: 2.72534	Reactive groups: 0

Topological Properties
Globularity: 0.18038	Sterimol/B1: 2.1288	Sterimol/B2: 3.76862	Sterimol/B3: 6.12904
Sterimol/B4: 8.9095	Sterimol/L: 15.4787

Surface and Volume Properties
Accessible surface: 630.248	Positive charged surface: 423.924	Negative charged surface: 206.324	Volume: 363.75
Hydrophobic surface: 536.504	Hydrophilic surface: 93.744

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	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.