MMsINC Database Search


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MMsINC code: MMs02876537

Type: Neutral
Formula: C₁₅H₂₀N₂O₂S

SMILES:

S(=O)(=O)(N(CCCC)C)c1c2c(ccc1)c(N)ccc2

InChI:

InChI=1/C15H20N2O2S/c1-3-4-11-17(2)20(18,19)15-10-6-7-12-13(15)8-5-9-14(12)16/h5-10H,3-4,11,16H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.3322 kcal/mol

Physical Properties
Molecular Weight: 292.403 g/mol	logS: -3.9414	SlogP: 2.8426	Reactive groups: 0

Topological Properties
Globularity: 0.0714633	Sterimol/B1: 3.01191	Sterimol/B2: 4.72774	Sterimol/B3: 4.86153
Sterimol/B4: 5.16563	Sterimol/L: 15.5204

Surface and Volume Properties
Accessible surface: 511.107	Positive charged surface: 324.507	Negative charged surface: 177.1	Volume: 277.75
Hydrophobic surface: 388.669	Hydrophilic surface: 122.438

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.