MMsINC Database Search


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MMsINC code: MMs02255760

Type: Neutral
Formula: C₁₈H₁₄O

SMILES:

Oc1cc(c(cc1)-c1ccccc1)-c1ccccc1

InChI:

InChI=1/C18H14O/c19-16-11-12-17(14-7-3-1-4-8-14)18(13-16)15-9-5-2-6-10-15/h1-13,19H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.8043 kcal/mol

Physical Properties
Molecular Weight: 246.309 g/mol	logS: -5.87569	SlogP: 4.7262	Reactive groups: 0

Topological Properties
Globularity: 0.129428	Sterimol/B1: 2.90797	Sterimol/B2: 2.95888	Sterimol/B3: 3.76077
Sterimol/B4: 8.1431	Sterimol/L: 12.2412

Surface and Volume Properties
Accessible surface: 464.793	Positive charged surface: 263.624	Negative charged surface: 194.109	Volume: 256.5
Hydrophobic surface: 413.329	Hydrophilic surface: 51.464

Pharmacophoric Properties
Hydrogen bond donors: 1	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.