MMsINC Database Search


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MMsINC code: MMs02424103

Type: Neutral
Formula: C₃₀H₂₄O₂S

SMILES:

S1(=O)(=O)C(CCC1=C(c1ccccc1)c1ccccc1)=C(c1ccccc1)c1ccccc1

InChI:

InChI=1/C30H24O2S/c31-33(32)27(29(23-13-5-1-6-14-23)24-15-7-2-8-16-24)21-22-28(33)30(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20H,21-22H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=127.465 kcal/mol

Physical Properties
Molecular Weight: 448.586 g/mol	logS: -7.84791	SlogP: 6.74878	Reactive groups: 0

Topological Properties
Globularity: 0.109347	Sterimol/B1: 2.27539	Sterimol/B2: 3.45498	Sterimol/B3: 4.53514
Sterimol/B4: 9.68109	Sterimol/L: 15.6129

Surface and Volume Properties
Accessible surface: 728.523	Positive charged surface: 404.237	Negative charged surface: 324.286	Volume: 441.25
Hydrophobic surface: 699.934	Hydrophilic surface: 28.589

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: 0

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Ions/Tautomers related molecules: no related molecules available.