MMsINC Database Search


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MMsINC code: MMs02997060

Type: Neutral
Formula: C₁₄H₁₀O

SMILES:

o1c2c(cc1-c1ccccc1)cccc2

InChI:

InChI=1/C14H10O/c1-2-6-11(7-3-1)14-10-12-8-4-5-9-13(12)15-14/h1-10H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=45.491 kcal/mol

Physical Properties
Molecular Weight: 194.233 g/mol	logS: -5.22539	SlogP: 4.0998	Reactive groups: 0

Topological Properties
Globularity: 1.85119e-07	Sterimol/B1: 2.097	Sterimol/B2: 2.09945	Sterimol/B3: 3.93814
Sterimol/B4: 3.97222	Sterimol/L: 13.7904

Surface and Volume Properties
Accessible surface: 411.235	Positive charged surface: 214.659	Negative charged surface: 190.948	Volume: 198.625
Hydrophobic surface: 404.962	Hydrophilic surface: 6.273

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.