MMsINC Database Search


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MMsINC code: MMs03677137

Type: Neutral
Formula: C₂₃H₂₄N₂O₃S

SMILES:

S(=O)(=O)(N(C)C)c1cc(ccc1)C(=O)NC(C)c1ccc(cc1)-c1ccccc1

InChI:

InChI=1/C23H24N2O3S/c1-17(18-12-14-20(15-13-18)19-8-5-4-6-9-19)24-23(26)21-10-7-11-22(16-21)29(27,28)25(2)3/h4-17H,1-3H3,(H,24,26)/t17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.5211 kcal/mol

Physical Properties
Molecular Weight: 408.522 g/mol	logS: -5.96606	SlogP: 4.1904	Reactive groups: 0

Topological Properties
Globularity: 0.0328554	Sterimol/B1: 2.28946	Sterimol/B2: 2.3095	Sterimol/B3: 5.62979
Sterimol/B4: 7.45695	Sterimol/L: 21.5915

Surface and Volume Properties
Accessible surface: 699.505	Positive charged surface: 391.69	Negative charged surface: 297.558	Volume: 392
Hydrophobic surface: 588.888	Hydrophilic surface: 110.617

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.