MMsINC Database Search


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MMsINC code: MMs02300874

Type: Neutral
Formula: C₁₈H₂₄N₂O₆S₂

SMILES:

S(=O)(=O)(N(C)C)c1ccc(OCCOc2ccc(S(=O)(=O)N(C)C)cc2)cc1

InChI:

InChI=1/C18H24N2O6S2/c1-19(2)27(21,22)17-9-5-15(6-10-17)25-13-14-26-16-7-11-18(12-8-16)28(23,24)20(3)4/h5-12H,13-14H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.3932 kcal/mol

Physical Properties
Molecular Weight: 428.53 g/mol	logS: -3.1071	SlogP: 1.645	Reactive groups: 0

Topological Properties
Globularity: 0.0302823	Sterimol/B1: 2.10678	Sterimol/B2: 3.99909	Sterimol/B3: 4.19316
Sterimol/B4: 5.40084	Sterimol/L: 21.6191

Surface and Volume Properties
Accessible surface: 703.547	Positive charged surface: 477.265	Negative charged surface: 226.282	Volume: 378.625
Hydrophobic surface: 581.985	Hydrophilic surface: 121.562

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 6	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.