MMsINC Database Search


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MMsINC code: MMs02755581

Type: Neutral
Formula: C₁₈H₁₂O

SMILES:

o1c2c(cc1-c1ccccc1)c1c(cc2)cccc1

InChI:

InChI=1/C18H12O/c1-2-7-14(8-3-1)18-12-16-15-9-5-4-6-13(15)10-11-17(16)19-18/h1-12H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.1382 kcal/mol

Physical Properties
Molecular Weight: 244.293 g/mol	logS: -7.10327	SlogP: 5.253	Reactive groups: 0

Topological Properties
Globularity: 1.84435e-07	Sterimol/B1: 2.09784	Sterimol/B2: 2.09814	Sterimol/B3: 4.10102
Sterimol/B4: 5.37964	Sterimol/L: 15.5328

Surface and Volume Properties
Accessible surface: 475.026	Positive charged surface: 237.821	Negative charged surface: 220.956	Volume: 246.875
Hydrophobic surface: 468.539	Hydrophilic surface: 6.487

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: 1

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Ions/Tautomers related molecules: no related molecules available.