MMsINC Database Search


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MMsINC code: MMs00443947

Type: Neutral
Formula: C₁₅H₁₆N₂O₅S₂

SMILES:

s1c(C)c(S(=O)(=O)Nc2ccccc2C(OC)=O)cc1C(=O)NC

InChI:

InChI=1/C15H16N2O5S2/c1-9-13(8-12(23-9)14(18)16-2)24(20,21)17-11-7-5-4-6-10(11)15(19)22-3/h4-8,17H,1-3H3,(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.4481 kcal/mol

Physical Properties
Molecular Weight: 368.434 g/mol	logS: -3.69464	SlogP: 2.00352	Reactive groups: 0

Topological Properties
Globularity: 0.216995	Sterimol/B1: 2.28448	Sterimol/B2: 4.61112	Sterimol/B3: 4.86582
Sterimol/B4: 8.45796	Sterimol/L: 15.3316

Surface and Volume Properties
Accessible surface: 568.259	Positive charged surface: 347.057	Negative charged surface: 221.202	Volume: 312.25
Hydrophobic surface: 425.336	Hydrophilic surface: 142.923

Pharmacophoric Properties
Hydrogen bond donors: 2	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.