MMsINC Database Search


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MMsINC code: MMs03542790

Type: Neutral
Formula: C₂₀H₁₈O

SMILES:

Oc1cccc(Cc2ccccc2)c1Cc1ccccc1

InChI:

InChI=1/C20H18O/c21-20-13-7-12-18(14-16-8-3-1-4-9-16)19(20)15-17-10-5-2-6-11-17/h1-13,21H,14-15H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.2669 kcal/mol

Physical Properties
Molecular Weight: 274.363 g/mol	logS: -4.94224	SlogP: 4.57374	Reactive groups: 0

Topological Properties
Globularity: 0.131615	Sterimol/B1: 3.0636	Sterimol/B2: 4.08995	Sterimol/B3: 4.18607
Sterimol/B4: 6.50822	Sterimol/L: 14.3618

Surface and Volume Properties
Accessible surface: 516.189	Positive charged surface: 299.78	Negative charged surface: 216.409	Volume: 288.375
Hydrophobic surface: 481.703	Hydrophilic surface: 34.486

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.