MMsINC Database Search


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MMsINC code: MMs02256960

Type: Neutral
Formula: C₂₀H₁₈O

SMILES:

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

InChI:

InChI=1/C20H18O/c1-15(21)16-11-13-18(14-12-16)20-10-6-5-9-19(20)17-7-3-2-4-8-17/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)=89.4067 kcal/mol

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

Topological Properties
Globularity: 0.10332	Sterimol/B1: 2.82853	Sterimol/B2: 4.05413	Sterimol/B3: 5.2074
Sterimol/B4: 5.94517	Sterimol/L: 14.1333

Surface and Volume Properties
Accessible surface: 507.199	Positive charged surface: 294.084	Negative charged surface: 205.502	Volume: 290.625
Hydrophobic surface: 444.874	Hydrophilic surface: 62.325

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.