MMsINC Database Search


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MMsINC code: MMs02228436

Type: Neutral
Formula: C₂₄H₁₈OS

SMILES:

S1C(=C(C(=CC1=O)c1ccccc1)c1ccccc1)c1ccc(cc1)C

InChI:

InChI=1/C24H18OS/c1-17-12-14-20(15-13-17)24-23(19-10-6-3-7-11-19)21(16-22(25)26-24)18-8-4-2-5-9-18/h2-16H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=124.231 kcal/mol

Physical Properties
Molecular Weight: 354.473 g/mol	logS: -7.39685	SlogP: 6.22032	Reactive groups: 0

Topological Properties
Globularity: 0.109769	Sterimol/B1: 3.14651	Sterimol/B2: 3.90667	Sterimol/B3: 5.08033
Sterimol/B4: 7.60406	Sterimol/L: 15.3839

Surface and Volume Properties
Accessible surface: 580.375	Positive charged surface: 326.986	Negative charged surface: 253.39	Volume: 349.375
Hydrophobic surface: 494.569	Hydrophilic surface: 85.806

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.