MMsINC Database Search


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MMsINC code: MMs02807631

Type: Neutral
Formula: C₂₀H₁₆O₂

SMILES:

O(C(=O)\C=C\c1c2c(ccc1)cccc2)c1ccccc1C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.5009 kcal/mol

Physical Properties
Molecular Weight: 288.346 g/mol	logS: -6.04311	SlogP: 4.76702	Reactive groups: 0

Topological Properties
Globularity: 0.0638992	Sterimol/B1: 2.29085	Sterimol/B2: 4.68622	Sterimol/B3: 5.37628
Sterimol/B4: 6.11116	Sterimol/L: 17.0741

Surface and Volume Properties
Accessible surface: 547.967	Positive charged surface: 276.892	Negative charged surface: 260.241	Volume: 292.25
Hydrophobic surface: 517.748	Hydrophilic surface: 30.219

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.