MMsINC Database Search


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MMsINC code: MMs00008425

Type: Neutral
Formula: C₂₀H₁₄O

SMILES:

o1c(c2c(cccc2)c1-c1ccccc1)-c1ccccc1

InChI:

InChI=1/C20H14O/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)20(21-19)16-11-5-2-6-12-16/h1-14H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.1253 kcal/mol

Physical Properties
Molecular Weight: 270.331 g/mol	logS: -7.65177	SlogP: 5.7668	Reactive groups: 0

Topological Properties
Globularity: 0.0523248	Sterimol/B1: 2.78002	Sterimol/B2: 2.99624	Sterimol/B3: 3.06189
Sterimol/B4: 7.51988	Sterimol/L: 15.1922

Surface and Volume Properties
Accessible surface: 519.051	Positive charged surface: 275.192	Negative charged surface: 235.165	Volume: 275
Hydrophobic surface: 513.596	Hydrophilic surface: 5.455

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.