MMsINC Database Search


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MMsINC code: MMs00121173

Type: Neutral
Formula: C₁₆H₁₄O₂

SMILES:

O1C2c3c(OC(c4c1cccc4)C2C)cccc3

InChI:

InChI=1/C16H14O2/c1-10-15-11-6-2-4-8-13(11)17-16(10)12-7-3-5-9-14(12)18-15/h2-10,15-16H,1H3/t15-,16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.8455 kcal/mol

Physical Properties
Molecular Weight: 238.286 g/mol	logS: -3.92832	SlogP: 4.0809	Reactive groups: 0

Topological Properties
Globularity: 0.338115	Sterimol/B1: 2.29202	Sterimol/B2: 3.88939	Sterimol/B3: 4.16053
Sterimol/B4: 7.14658	Sterimol/L: 10.7884

Surface and Volume Properties
Accessible surface: 437.937	Positive charged surface: 263.938	Negative charged surface: 173.999	Volume: 232.75
Hydrophobic surface: 397.621	Hydrophilic surface: 40.316

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.