MMsINC Database Search


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MMsINC code: MMs02713655

Type: Neutral
Formula: C₁₄H₁₆N₂O₃S

SMILES:

S(=O)(=O)(N(CC(=O)N)CC)c1cc2c(cc1)cccc2

InChI:

InChI=1/C14H16N2O3S/c1-2-16(10-14(15)17)20(18,19)13-8-7-11-5-3-4-6-12(11)9-13/h3-9H,2,10H2,1H3,(H2,15,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=46.7008 kcal/mol

Physical Properties
Molecular Weight: 292.359 g/mol	logS: -3.78209	SlogP: 1.3357	Reactive groups: 0

Topological Properties
Globularity: 0.0871962	Sterimol/B1: 2.36134	Sterimol/B2: 2.54081	Sterimol/B3: 5.39947
Sterimol/B4: 6.71044	Sterimol/L: 15.0305

Surface and Volume Properties
Accessible surface: 491.177	Positive charged surface: 269.165	Negative charged surface: 213.041	Volume: 268.125
Hydrophobic surface: 316.426	Hydrophilic surface: 174.751

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.