MMsINC Database Search


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MMsINC code: MMs02446243

Type: Neutral
Formula: C₂₀H₁₂O

SMILES:

o1c2c(c3c(c4c2cccc4)cccc3)c2c1cccc2

InChI:

InChI=1/C20H12O/c1-3-9-15-13(7-1)14-8-2-4-10-16(14)20-19(15)17-11-5-6-12-18(17)21-20/h1-12H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.9996 kcal/mol

Physical Properties
Molecular Weight: 268.315 g/mol	logS: -8.43265	SlogP: 5.8924	Reactive groups: 0

Topological Properties
Globularity: 1.32724e-07	Sterimol/B1: 2.097	Sterimol/B2: 2.10006	Sterimol/B3: 2.66975
Sterimol/B4: 8.79761	Sterimol/L: 13.8257

Surface and Volume Properties
Accessible surface: 476.9	Positive charged surface: 221.071	Negative charged surface: 221.764	Volume: 267.25
Hydrophobic surface: 468.997	Hydrophilic surface: 7.903

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.