MMsINC Database Search


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MMsINC code: MMs02067930

Type: Neutral
Formula: C₁₈H₁₈N₂O₄S

SMILES:

S1(=O)(=O)N(CCC(=O)N(CC)c2ccccc2)C(=O)c2c1cccc2

InChI:

InChI=1/C18H18N2O4S/c1-2-19(14-8-4-3-5-9-14)17(21)12-13-20-18(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)=58.5997 kcal/mol

Physical Properties
Molecular Weight: 358.418 g/mol	logS: -3.92604	SlogP: 2.2743	Reactive groups: 0

Topological Properties
Globularity: 0.0752597	Sterimol/B1: 2.02808	Sterimol/B2: 2.53757	Sterimol/B3: 5.15185
Sterimol/B4: 6.95532	Sterimol/L: 18.4261

Surface and Volume Properties
Accessible surface: 590.667	Positive charged surface: 307.418	Negative charged surface: 283.248	Volume: 323.75
Hydrophobic surface: 446.457	Hydrophilic surface: 144.21

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.