MMsINC Database Search


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MMsINC code: MMs02686888

Type: Neutral
Formula: C₁₁H₁₈N₂O₃S

SMILES:

S(=O)(=O)(N(C)C)NCCc1ccc(OC)cc1

InChI:

InChI=1/C11H18N2O3S/c1-13(2)17(14,15)12-9-8-10-4-6-11(16-3)7-5-10/h4-7,12H,8-9H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=1.57316 kcal/mol

Physical Properties
Molecular Weight: 258.342 g/mol	logS: -1.05162	SlogP: 0.63367	Reactive groups: 0

Topological Properties
Globularity: 0.0896946	Sterimol/B1: 2.65509	Sterimol/B2: 2.83036	Sterimol/B3: 4.53822
Sterimol/B4: 5.37301	Sterimol/L: 15.1079

Surface and Volume Properties
Accessible surface: 495.315	Positive charged surface: 358.223	Negative charged surface: 137.092	Volume: 244.5
Hydrophobic surface: 402.878	Hydrophilic surface: 92.437

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.