MMsINC Database Search


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MMsINC code: MMs01758405

Type: Neutral
Formula: C₂₄H₂₄N₂OS

SMILES:

S=C(N1CCN(CC1)c1ccccc1)c1ccc(OCc2ccccc2)cc1

InChI:

InChI=1/C24H24N2OS/c28-24(26-17-15-25(16-18-26)22-9-5-2-6-10-22)21-11-13-23(14-12-21)27-19-20-7-3-1-4-8-20/h1-14H,15-19H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=199.961 kcal/mol

Physical Properties
Molecular Weight: 388.535 g/mol	logS: -6.58579	SlogP: 5.0297	Reactive groups: 0

Topological Properties
Globularity: 0.0351536	Sterimol/B1: 3.48579	Sterimol/B2: 3.768	Sterimol/B3: 4.06181
Sterimol/B4: 7.94785	Sterimol/L: 20.683

Surface and Volume Properties
Accessible surface: 684.481	Positive charged surface: 396.789	Negative charged surface: 287.693	Volume: 386.125
Hydrophobic surface: 604.81	Hydrophilic surface: 79.671

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.