MMsINC Database Search


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MMsINC code: MMs02320144

Type: Neutral
Formula: C₂₇H₂₄S₂

SMILES:

S(C(SCc1ccccc1)(c1ccccc1)c1ccccc1)Cc1ccccc1

InChI:

InChI=1/C27H24S2/c1-5-13-23(14-6-1)21-28-27(25-17-9-3-10-18-25,26-19-11-4-12-20-26)29-22-24-15-7-2-8-16-24/h1-20H,21-22H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=121.312 kcal/mol

Physical Properties
Molecular Weight: 412.621 g/mol	logS: -8.70186	SlogP: 8.5988	Reactive groups: 0

Topological Properties
Globularity: 0.281262	Sterimol/B1: 2.90612	Sterimol/B2: 4.37299	Sterimol/B3: 6.54941
Sterimol/B4: 9.11393	Sterimol/L: 15.5831

Surface and Volume Properties
Accessible surface: 693.438	Positive charged surface: 362.34	Negative charged surface: 331.098	Volume: 419
Hydrophobic surface: 662.079	Hydrophilic surface: 31.359

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.