MMsINC Database Search


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MMsINC code: MMs02308291

Type: Neutral
Formula: C₂₀H₁₈O₂

SMILES:

OC(c1ccccc1C(O)c1ccccc1)c1ccccc1

InChI:

InChI=1/C20H18O2/c21-19(15-9-3-1-4-10-15)17-13-7-8-14-18(17)20(22)16-11-5-2-6-12-16/h1-14,19-22H/t19-,20+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.939 kcal/mol

Physical Properties
Molecular Weight: 290.362 g/mol	logS: -4.46272	SlogP: 4.041	Reactive groups: 0

Topological Properties
Globularity: 0.179721	Sterimol/B1: 2.6124	Sterimol/B2: 2.82097	Sterimol/B3: 4.88293
Sterimol/B4: 8.21239	Sterimol/L: 13.1953

Surface and Volume Properties
Accessible surface: 509.548	Positive charged surface: 268.269	Negative charged surface: 241.279	Volume: 294.875
Hydrophobic surface: 438.992	Hydrophilic surface: 70.556

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.