MMsINC Database Search


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MMsINC code: MMs01530000

Type: Neutral
Formula: C₁₁H₁₆N₂O₂S

SMILES:

S(=O)(=O)(N(C)C)c1cc2CCCNc2cc1

InChI:

InChI=1/C11H16N2O2S/c1-13(2)16(14,15)10-5-6-11-9(8-10)4-3-7-12-11/h5-6,8,12H,3-4,7H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=25.5325 kcal/mol

Physical Properties
Molecular Weight: 240.327 g/mol	logS: -1.48054	SlogP: 1.29497	Reactive groups: 0

Topological Properties
Globularity: 0.0902261	Sterimol/B1: 2.16984	Sterimol/B2: 2.81373	Sterimol/B3: 4.41924
Sterimol/B4: 6.1562	Sterimol/L: 13.0052

Surface and Volume Properties
Accessible surface: 440.436	Positive charged surface: 330.297	Negative charged surface: 110.139	Volume: 223.25
Hydrophobic surface: 349.226	Hydrophilic surface: 91.21

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.