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MMsINC code: MMs01048020

Type: Neutral
Formula: C₁₄H₁₆N₂O₃S₂

SMILES:

s1cc(S(=O)(=O)N(CC)c2cc(ccc2)C)cc1C(=O)N

InChI:

InChI=1/C14H16N2O3S2/c1-3-16(11-6-4-5-10(2)7-11)21(18,19)12-8-13(14(15)17)20-9-12/h4-9H,3H2,1-2H3,(H2,15,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=45.5319 kcal/mol

Physical Properties
Molecular Weight: 324.425 g/mol	logS: -3.98222	SlogP: 2.37062	Reactive groups: 0

Topological Properties
Globularity: 0.134563	Sterimol/B1: 2.14264	Sterimol/B2: 2.57208	Sterimol/B3: 6.08398
Sterimol/B4: 7.92613	Sterimol/L: 13.7222

Surface and Volume Properties
Accessible surface: 512.997	Positive charged surface: 260.326	Negative charged surface: 252.671	Volume: 284.875
Hydrophobic surface: 334.64	Hydrophilic surface: 178.357

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.