MMsINC Database Search


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MMsINC code: MMs02914961

Type: Neutral
Formula: C₁₀H₁₆N₂O₂S

SMILES:

S(=O)(=O)(N(C)C)NCCc1ccccc1

InChI:

InChI=1/C10H16N2O2S/c1-12(2)15(13,14)11-9-8-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-11.0296 kcal/mol

Physical Properties
Molecular Weight: 228.316 g/mol	logS: -1.00124	SlogP: 0.62507	Reactive groups: 0

Topological Properties
Globularity: 0.128126	Sterimol/B1: 2.71499	Sterimol/B2: 3.09781	Sterimol/B3: 4.51581
Sterimol/B4: 4.55333	Sterimol/L: 13.2459

Surface and Volume Properties
Accessible surface: 451.539	Positive charged surface: 299.198	Negative charged surface: 152.34	Volume: 217.625
Hydrophobic surface: 369.469	Hydrophilic surface: 82.07

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.