MMsINC Database Search


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MMsINC code: MMs02668826

Type: Neutral
Formula: C₁₅H₁₈N₂O₂S

SMILES:

S(=O)(=O)(Nc1ccc(N(C)C)cc1)c1ccccc1C

InChI:

InChI=1/C15H18N2O2S/c1-12-6-4-5-7-15(12)20(18,19)16-13-8-10-14(11-9-13)17(2)3/h4-11,16H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.2496 kcal/mol

Physical Properties
Molecular Weight: 290.387 g/mol	logS: -3.1346	SlogP: 2.86182	Reactive groups: 0

Topological Properties
Globularity: 0.206662	Sterimol/B1: 2.74814	Sterimol/B2: 3.01683	Sterimol/B3: 5.61339
Sterimol/B4: 6.57658	Sterimol/L: 13.0064

Surface and Volume Properties
Accessible surface: 501.682	Positive charged surface: 326.09	Negative charged surface: 175.592	Volume: 275.5
Hydrophobic surface: 430.221	Hydrophilic surface: 71.461

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.