MMsINC Database Search


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MMsINC code: MMs03239728

Type: Neutral
Formula: C₁₅H₁₈N₂O₂S

SMILES:

S(=O)(=O)(N(Cc1ccncc1)CC)c1ccc(cc1)C

InChI:

InChI=1/C15H18N2O2S/c1-3-17(12-14-8-10-16-11-9-14)20(18,19)15-6-4-13(2)5-7-15/h4-11H,3,12H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=38.0473 kcal/mol

Physical Properties
Molecular Weight: 290.387 g/mol	logS: -2.60933	SlogP: 2.86722	Reactive groups: 0

Topological Properties
Globularity: 0.0799649	Sterimol/B1: 2.56647	Sterimol/B2: 2.76639	Sterimol/B3: 4.82406
Sterimol/B4: 6.97462	Sterimol/L: 15.3319

Surface and Volume Properties
Accessible surface: 505.833	Positive charged surface: 323.829	Negative charged surface: 182.005	Volume: 279.75
Hydrophobic surface: 418.891	Hydrophilic surface: 86.942

Pharmacophoric Properties
Hydrogen bond donors: 0	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.