MMsINC Database Search


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MMsINC code: MMs00552542

Type: Neutral
Formula: C₂₀H₁₂O

SMILES:

o1c2c(c3c4c(ccc13)cccc4)ccc1c2cccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.0539 kcal/mol

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

Topological Properties
Globularity: 1.70823e-07	Sterimol/B1: 2.097	Sterimol/B2: 2.10204	Sterimol/B3: 3.46231
Sterimol/B4: 6.17007	Sterimol/L: 15.3699

Surface and Volume Properties
Accessible surface: 482.462	Positive charged surface: 226.677	Negative charged surface: 221.623	Volume: 265.125
Hydrophobic surface: 474.993	Hydrophilic surface: 7.469

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.