MMsINC Database Search


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MMsINC code: MMs01328589

Type: Neutral
Formula: C₁₈H₁₈N₂O₄S

SMILES:

S1(=O)(=O)N(CC(=O)NCCCc2ccccc2)C(=O)c2c1cccc2

InChI:

InChI=1/C18H18N2O4S/c21-17(19-12-6-9-14-7-2-1-3-8-14)13-20-18(22)15-10-4-5-11-16(15)25(20,23)24/h1-5,7-8,10-11H,6,9,12-13H2,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.5914 kcal/mol

Physical Properties
Molecular Weight: 358.418 g/mol	logS: -4.03018	SlogP: 1.58007	Reactive groups: 0

Topological Properties
Globularity: 0.0316514	Sterimol/B1: 3.30088	Sterimol/B2: 3.759	Sterimol/B3: 4.11656
Sterimol/B4: 4.15802	Sterimol/L: 20.5577

Surface and Volume Properties
Accessible surface: 619.41	Positive charged surface: 339.16	Negative charged surface: 280.25	Volume: 320.875
Hydrophobic surface: 472.898	Hydrophilic surface: 146.512

Pharmacophoric Properties
Hydrogen bond donors: 1	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.