MMsINC Database Search


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MMsINC code: MMs02811724

Type: Neutral
Formula: C₂₀H₁₈O

SMILES:

OC(C)c1ccc(cc1)-c1ccc(cc1)-c1ccccc1

InChI:

InChI=1/C20H18O/c1-15(21)16-7-9-19(10-8-16)20-13-11-18(12-14-20)17-5-3-2-4-6-17/h2-15,21H,1H3/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.2373 kcal/mol

Physical Properties
Molecular Weight: 274.363 g/mol	logS: -6.33587	SlogP: 5.1694	Reactive groups: 0

Topological Properties
Globularity: 0.012909	Sterimol/B1: 2.07229	Sterimol/B2: 3.66773	Sterimol/B3: 3.79977
Sterimol/B4: 3.9669	Sterimol/L: 18.4766

Surface and Volume Properties
Accessible surface: 536.536	Positive charged surface: 267.6	Negative charged surface: 247.754	Volume: 290.125
Hydrophobic surface: 471.977	Hydrophilic surface: 64.559

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.