MMsINC Database Search


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MMsINC code: MMs02315467

Type: Neutral
Formula: C₂₀H₁₈S

SMILES:

S(C(c1ccccc1)c1ccccc1)Cc1ccccc1

InChI:

InChI=1/C20H18S/c1-4-10-17(11-5-1)16-21-20(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.2773 kcal/mol

Physical Properties
Molecular Weight: 290.43 g/mol	logS: -5.88612	SlogP: 6.0713	Reactive groups: 0

Topological Properties
Globularity: 0.167591	Sterimol/B1: 3.67548	Sterimol/B2: 3.7767	Sterimol/B3: 4.45708
Sterimol/B4: 7.27727	Sterimol/L: 14.707

Surface and Volume Properties
Accessible surface: 556.113	Positive charged surface: 302.601	Negative charged surface: 253.512	Volume: 306.75
Hydrophobic surface: 533.423	Hydrophilic surface: 22.69

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.