MMsINC Database Search


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MMsINC code: MMs02314882

Type: Neutral
Formula: C₁₆H₁₀O

SMILES:

Oc1c2c3c4c(c1)cccc4ccc3ccc2

InChI:

InChI=1/C16H10O/c17-14-9-12-5-1-3-10-7-8-11-4-2-6-13(14)16(11)15(10)12/h1-9,17H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.662 kcal/mol

Physical Properties
Molecular Weight: 218.255 g/mol	logS: -6.10807	SlogP: 4.2896	Reactive groups: 0

Topological Properties
Globularity: 0.00397109	Sterimol/B1: 2.14792	Sterimol/B2: 2.19423	Sterimol/B3: 4.52145
Sterimol/B4: 5.68265	Sterimol/L: 11.9324

Surface and Volume Properties
Accessible surface: 408.064	Positive charged surface: 198.221	Negative charged surface: 176.63	Volume: 212.875
Hydrophobic surface: 362.545	Hydrophilic surface: 45.519

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.