MMsINC Database Search


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MMsINC code: MMs03262402

Type: Neutral
Formula: C₁₆H₁₄O

SMILES:

o1c2c(cccc2)c(-c2ccc(cc2)C)c1C

InChI:

InChI=1/C16H14O/c1-11-7-9-13(10-8-11)16-12(2)17-15-6-4-3-5-14(15)16/h3-10H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.409 kcal/mol

Physical Properties
Molecular Weight: 222.287 g/mol	logS: -6.0439	SlogP: 4.71664	Reactive groups: 0

Topological Properties
Globularity: 0.071996	Sterimol/B1: 3.2499	Sterimol/B2: 3.39728	Sterimol/B3: 3.80718
Sterimol/B4: 6.36413	Sterimol/L: 13.8045

Surface and Volume Properties
Accessible surface: 458.391	Positive charged surface: 259.225	Negative charged surface: 194.584	Volume: 235.5
Hydrophobic surface: 446.632	Hydrophilic surface: 11.759

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.