MMsINC Database Search


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MMsINC code: MMs03866771

Type: Neutral
Formula: C₂₇H₂₄S

SMILES:

S(C(c1ccccc1)(c1ccccc1)c1ccccc1)Cc1ccccc1C

InChI:

InChI=1/C27H24S/c1-22-13-11-12-14-23(22)21-28-27(24-15-5-2-6-16-24,25-17-7-3-8-18-25)26-19-9-4-10-20-26/h2-20H,21H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=162.333 kcal/mol

Physical Properties
Molecular Weight: 380.555 g/mol	logS: -8.12794	SlogP: 7.79822	Reactive groups: 0

Topological Properties
Globularity: 0.353042	Sterimol/B1: 4.24776	Sterimol/B2: 5.74139	Sterimol/B3: 5.74426
Sterimol/B4: 7.91347	Sterimol/L: 14.8516

Surface and Volume Properties
Accessible surface: 634.062	Positive charged surface: 348.877	Negative charged surface: 285.185	Volume: 394.25
Hydrophobic surface: 618.618	Hydrophilic surface: 15.444

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