MMsINC Database Search


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MMsINC code: MMs03036454

Type: Neutral
Formula: C₁₉H₁₈N₂O₄S

SMILES:

S(=O)(=O)(N(CC=C)c1ccccc1)c1ccc(N2C(=O)CCC2=O)cc1

InChI:

InChI=1/C19H18N2O4S/c1-2-14-20(15-6-4-3-5-7-15)26(24,25)17-10-8-16(9-11-17)21-18(22)12-13-19(21)23/h2-11H,1,12-14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.0885 kcal/mol

Physical Properties
Molecular Weight: 370.429 g/mol	logS: -4.01462	SlogP: 2.7213	Reactive groups: 0

Topological Properties
Globularity: 0.0999963	Sterimol/B1: 2.29605	Sterimol/B2: 2.35188	Sterimol/B3: 6.16297
Sterimol/B4: 7.90193	Sterimol/L: 16.2378

Surface and Volume Properties
Accessible surface: 584.322	Positive charged surface: 314.713	Negative charged surface: 269.609	Volume: 335.125
Hydrophobic surface: 410.947	Hydrophilic surface: 173.375

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.