MMsINC Database Search


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MMsINC code: MMs02067903

Type: Neutral
Formula: C₁₈H₁₈N₂O₄S

SMILES:

S1(=O)(=O)N(CC(=O)N(Cc2ccccc2)CC)C(=O)c2c1cccc2

InChI:

InChI=1/C18H18N2O4S/c1-2-19(12-14-8-4-3-5-9-14)17(21)13-20-18(22)15-10-6-7-11-16(15)25(20,23)24/h3-11H,2,12-13H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.5006 kcal/mol

Physical Properties
Molecular Weight: 358.418 g/mol	logS: -3.98816	SlogP: 2.1462	Reactive groups: 0

Topological Properties
Globularity: 0.0667137	Sterimol/B1: 2.17391	Sterimol/B2: 3.10941	Sterimol/B3: 3.8942
Sterimol/B4: 9.01587	Sterimol/L: 16.23

Surface and Volume Properties
Accessible surface: 583.977	Positive charged surface: 307.676	Negative charged surface: 276.3	Volume: 324.875
Hydrophobic surface: 439.454	Hydrophilic surface: 144.523

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.