MMsINC Database Search


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MMsINC code: MMs02212692

Type: Neutral
Formula: C₁₆H₁₆O₂

SMILES:

Oc1ccc(cc1)/C(=C(/C)\c1ccc(O)cc1)/C

InChI:

InChI=1/C16H16O2/c1-11(13-3-7-15(17)8-4-13)12(2)14-5-9-16(18)10-6-14/h3-10,17-18H,1-2H3/b12-11+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.2312 kcal/mol

Physical Properties
Molecular Weight: 240.302 g/mol	logS: -4.19596	SlogP: 4.0484	Reactive groups: 0

Topological Properties
Globularity: 0.109948	Sterimol/B1: 2.14128	Sterimol/B2: 3.43034	Sterimol/B3: 3.43448
Sterimol/B4: 6.00016	Sterimol/L: 15.5578

Surface and Volume Properties
Accessible surface: 482.516	Positive charged surface: 292.69	Negative charged surface: 189.826	Volume: 247.625
Hydrophobic surface: 379.456	Hydrophilic surface: 103.06

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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.