MMsINC Database Search


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MMsINC code: MMs02370619

Type: Neutral
Formula: C₁₈H₂₀O₂

SMILES:

Oc1ccc(cc1)C(=C(CC)CC)c1ccc(O)cc1

InChI:

InChI=1/C18H20O2/c1-3-13(4-2)18(14-5-9-16(19)10-6-14)15-7-11-17(20)12-8-15/h5-12,19-20H,3-4H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.4506 kcal/mol

Physical Properties
Molecular Weight: 268.356 g/mol	logS: -5.2264	SlogP: 4.53699	Reactive groups: 0

Topological Properties
Globularity: 0.218514	Sterimol/B1: 2.32714	Sterimol/B2: 2.96306	Sterimol/B3: 4.37491
Sterimol/B4: 7.69759	Sterimol/L: 13.2753

Surface and Volume Properties
Accessible surface: 507.387	Positive charged surface: 322.548	Negative charged surface: 184.838	Volume: 284.25
Hydrophobic surface: 365.549	Hydrophilic surface: 141.838

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.