MMsINC Database Search


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MMsINC code: MMs00694180

Type: Neutral
Formula: C₂₀H₁₆O₂

SMILES:

O(C(=O)\C=C\c1c2c(ccc1)cccc2)c1cc(ccc1)C

InChI:

InChI=1/C20H16O2/c1-15-6-4-10-18(14-15)22-20(21)13-12-17-9-5-8-16-7-2-3-11-19(16)17/h2-14H,1H3/b13-12+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.0783 kcal/mol

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

Topological Properties
Globularity: 0.0476856	Sterimol/B1: 2.4591	Sterimol/B2: 3.47062	Sterimol/B3: 5.38304
Sterimol/B4: 6.31693	Sterimol/L: 17.0908

Surface and Volume Properties
Accessible surface: 557.343	Positive charged surface: 284.92	Negative charged surface: 261.92	Volume: 294.25
Hydrophobic surface: 520.256	Hydrophilic surface: 37.087

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.