MMsINC Database Search


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MMsINC code: MMs03540953

Type: Neutral
Formula: C₁₅H₁₀O

SMILES:

OC1c2c3c4c1cccc4ccc3ccc2

InChI:

InChI=1/C15H10O/c16-15-11-5-1-3-9-7-8-10-4-2-6-12(15)14(10)13(9)11/h1-8,15-16H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.8956 kcal/mol

Physical Properties
Molecular Weight: 206.244 g/mol	logS: -5.03406	SlogP: 3.4836	Reactive groups: 0

Topological Properties
Globularity: 0.0225746	Sterimol/B1: 2.50314	Sterimol/B2: 2.81078	Sterimol/B3: 4.9064
Sterimol/B4: 4.90887	Sterimol/L: 11.7961

Surface and Volume Properties
Accessible surface: 395.412	Positive charged surface: 206.097	Negative charged surface: 167.115	Volume: 201.75
Hydrophobic surface: 349.6	Hydrophilic surface: 45.812

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.