MMsINC Database Search


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MMsINC code: MMs02332316

Type: Neutral
Formula: C₁₈H₂₀N₂O₂S₂

SMILES:

S(SCCNC(=O)c1ccccc1)CCNC(=O)c1ccccc1

InChI:

InChI=1/C18H20N2O2S2/c21-17(15-7-3-1-4-8-15)19-11-13-23-24-14-12-20-18(22)16-9-5-2-6-10-16/h1-10H,11-14H2,(H,19,21)(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.9108 kcal/mol

Physical Properties
Molecular Weight: 360.502 g/mol	logS: -5.56716	SlogP: 3.2278	Reactive groups: 1

Topological Properties
Globularity: 0.0233424	Sterimol/B1: 2.61486	Sterimol/B2: 3.55918	Sterimol/B3: 3.64027
Sterimol/B4: 6.93266	Sterimol/L: 21.3926

Surface and Volume Properties
Accessible surface: 653.642	Positive charged surface: 356.092	Negative charged surface: 297.551	Volume: 339.125
Hydrophobic surface: 497.062	Hydrophilic surface: 156.58

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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.