MMsINC Database Search


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MMsINC code: MMs00272510

Type: Neutral
Formula: C₁₅H₁₄O

SMILES:

Oc1ccccc1C\C=C\c1ccccc1

InChI:

InChI=1/C15H14O/c16-15-12-5-4-10-14(15)11-6-9-13-7-2-1-3-8-13/h1-10,12,16H,11H2/b9-6+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.4847 kcal/mol

Physical Properties
Molecular Weight: 210.276 g/mol	logS: -3.95858	SlogP: 3.64807	Reactive groups: 0

Topological Properties
Globularity: 0.1102	Sterimol/B1: 2.84595	Sterimol/B2: 3.34751	Sterimol/B3: 4.47133
Sterimol/B4: 4.61146	Sterimol/L: 13.8373

Surface and Volume Properties
Accessible surface: 459.287	Positive charged surface: 259.229	Negative charged surface: 200.059	Volume: 226
Hydrophobic surface: 408.874	Hydrophilic surface: 50.413

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.