MMsINC Database Search


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MMsINC code: MMs03541011

Type: Neutral
Formula: C₁₆H₁₀O

SMILES:

Oc1c-2c(-c3c4c-2cccc4ccc3)ccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=120.732 kcal/mol

Physical Properties
Molecular Weight: 218.255 g/mol	logS: -6.10807	SlogP: 4.1928	Reactive groups: 0

Topological Properties
Globularity: 0.00361121	Sterimol/B1: 2.097	Sterimol/B2: 2.23676	Sterimol/B3: 2.58122
Sterimol/B4: 7.26974	Sterimol/L: 11.8783

Surface and Volume Properties
Accessible surface: 412.169	Positive charged surface: 202.983	Negative charged surface: 175.284	Volume: 216
Hydrophobic surface: 370.427	Hydrophilic surface: 41.742

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.