MMsINC Database Search


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MMsINC code: MMs02245854

Type: Neutral
Formula: C₁₉H₂₂O₂

SMILES:

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

InChI:

InChI=1/C19H22O2/c1-5-19(16-8-12-18(21-4)13-9-16)14(2)15-6-10-17(20-3)11-7-15/h6-13,19H,2,5H2,1,3-4H3/t19-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.3752 kcal/mol

Physical Properties
Molecular Weight: 282.383 g/mol	logS: -5.76518	SlogP: 4.9108	Reactive groups: 0

Topological Properties
Globularity: 0.246846	Sterimol/B1: 2.43745	Sterimol/B2: 2.48727	Sterimol/B3: 6.49953
Sterimol/B4: 8.99844	Sterimol/L: 13.5234

Surface and Volume Properties
Accessible surface: 538.634	Positive charged surface: 389.198	Negative charged surface: 149.436	Volume: 303
Hydrophobic surface: 467.03	Hydrophilic surface: 71.604

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.