MMsINC Database Search


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MMsINC code: MMs02358944

Type: Neutral
Formula: C₁₅H₁₆N₂O₃S₂

SMILES:

S(C)c1ccc(NC(=O)NS(=O)(=O)c2ccc(cc2)C)cc1

InChI:

InChI=1/C15H16N2O3S2/c1-11-3-9-14(10-4-11)22(19,20)17-15(18)16-12-5-7-13(21-2)8-6-12/h3-10H,1-2H3,(H2,16,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=12.0961 kcal/mol

Physical Properties
Molecular Weight: 336.436 g/mol	logS: -4.97046	SlogP: 3.22732	Reactive groups: 0

Topological Properties
Globularity: 0.0933459	Sterimol/B1: 2.18174	Sterimol/B2: 3.38989	Sterimol/B3: 4.34827
Sterimol/B4: 8.2895	Sterimol/L: 15.856

Surface and Volume Properties
Accessible surface: 565.775	Positive charged surface: 290.309	Negative charged surface: 275.466	Volume: 298.375
Hydrophobic surface: 406.234	Hydrophilic surface: 159.541

Pharmacophoric Properties
Hydrogen bond donors: 2	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.