MMsINC Database Search


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MMsINC code: MMs01603638

Type: Neutral
Formula: C₁₈H₂₄N₂O₄S₂

SMILES:

S(=O)(=O)(Nc1ccc(S(=O)(=O)N(CC)CC)cc1)c1ccc(cc1)CC

InChI:

InChI=1/C18H24N2O4S2/c1-4-15-7-11-17(12-8-15)25(21,22)19-16-9-13-18(14-10-16)26(23,24)20(5-2)6-3/h7-14,19H,4-6H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=32.614 kcal/mol

Physical Properties
Molecular Weight: 396.532 g/mol	logS: -4.60384	SlogP: 3.08027	Reactive groups: 0

Topological Properties
Globularity: 0.0987693	Sterimol/B1: 2.42446	Sterimol/B2: 3.50261	Sterimol/B3: 5.38164
Sterimol/B4: 7.84767	Sterimol/L: 17.5533

Surface and Volume Properties
Accessible surface: 638.471	Positive charged surface: 378.161	Negative charged surface: 260.31	Volume: 360.5
Hydrophobic surface: 435.088	Hydrophilic surface: 203.383

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.