MMsINC Database Search


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MMsINC code: MMs00459246

Type: Neutral
Formula: C₂₀H₁₄O₃

SMILES:

O1c2c(c3c(cc2)cccc3)C(OC)=C(c2ccccc2)C1=O

InChI:

InChI=1/C20H14O3/c1-22-19-17(14-8-3-2-4-9-14)20(21)23-16-12-11-13-7-5-6-10-15(13)18(16)19/h2-12H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=128.863 kcal/mol

Physical Properties
Molecular Weight: 302.329 g/mol	logS: -6.51278	SlogP: 4.2735	Reactive groups: 0

Topological Properties
Globularity: 0.0676088	Sterimol/B1: 2.25114	Sterimol/B2: 2.88549	Sterimol/B3: 4.75703
Sterimol/B4: 7.16592	Sterimol/L: 14.9643

Surface and Volume Properties
Accessible surface: 507.548	Positive charged surface: 293.615	Negative charged surface: 204.304	Volume: 289.5
Hydrophobic surface: 451.065	Hydrophilic surface: 56.483

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.