MMsINC Database Search


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MMsINC code: MMs01451780

Type: Neutral
Formula: C₂₀H₂₆N₂O₃S

SMILES:

S(=O)(=O)(N(CC)CC)c1cc(ccc1C)C(=O)Nc1cccc(C)c1C

InChI:

InChI=1/C20H26N2O3S/c1-6-22(7-2)26(24,25)19-13-17(12-11-15(19)4)20(23)21-18-10-8-9-14(3)16(18)5/h8-13H,6-7H2,1-5H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.4287 kcal/mol

Physical Properties
Molecular Weight: 374.505 g/mol	logS: -4.71771	SlogP: 3.89466	Reactive groups: 0

Topological Properties
Globularity: 0.0692503	Sterimol/B1: 2.49154	Sterimol/B2: 3.4138	Sterimol/B3: 6.22603
Sterimol/B4: 7.73043	Sterimol/L: 16.3515

Surface and Volume Properties
Accessible surface: 625.411	Positive charged surface: 378.909	Negative charged surface: 246.502	Volume: 363.875
Hydrophobic surface: 517.072	Hydrophilic surface: 108.339

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.