MMsINC Database Search


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MMsINC code: MMs00666319

Type: Neutral
Formula: C₂₀H₁₈O₂

SMILES:

O(C)c1ccc(cc1)C(c1ccc(OC)cc1)=C1C=CC=C1

InChI:

InChI=1/C20H18O2/c1-21-18-11-7-16(8-12-18)20(15-5-3-4-6-15)17-9-13-19(22-2)14-10-17/h3-14H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.851 kcal/mol

Physical Properties
Molecular Weight: 290.362 g/mol	logS: -5.22603	SlogP: 4.44899	Reactive groups: 0

Topological Properties
Globularity: 0.116564	Sterimol/B1: 2.24084	Sterimol/B2: 3.40856	Sterimol/B3: 4.40975
Sterimol/B4: 9.48638	Sterimol/L: 15.3355

Surface and Volume Properties
Accessible surface: 553.625	Positive charged surface: 366.281	Negative charged surface: 184.257	Volume: 300.375
Hydrophobic surface: 533.038	Hydrophilic surface: 20.587

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.