MMsINC Database Search


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MMsINC code: MMs00673923

Type: Neutral
Formula: C₂₀H₁₆O₂

SMILES:

O(C(=O)\C=C\c1c2c(ccc1)cccc2)c1ccc(cc1)C

InChI:

InChI=1/C20H16O2/c1-15-9-12-18(13-10-15)22-20(21)14-11-17-7-4-6-16-5-2-3-8-19(16)17/h2-14H,1H3/b14-11+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.3528 kcal/mol

Physical Properties
Molecular Weight: 288.346 g/mol	logS: -6.35656	SlogP: 4.76702	Reactive groups: 0

Topological Properties
Globularity: 0.0262422	Sterimol/B1: 3.4089	Sterimol/B2: 3.52986	Sterimol/B3: 4.21409
Sterimol/B4: 5.82691	Sterimol/L: 18.2004

Surface and Volume Properties
Accessible surface: 547.971	Positive charged surface: 284.886	Negative charged surface: 254.415	Volume: 295
Hydrophobic surface: 510.115	Hydrophilic surface: 37.856

Pharmacophoric Properties
Hydrogen bond donors: 0	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.