MMsINC Database Search


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MMsINC code: MMs02658770

Type: Neutral
Formula: C₁₈H₂₀O₂

SMILES:

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

InChI:

InChI=1/C18H20O2/c1-13(15-5-9-17(19-3)10-6-15)14(2)16-7-11-18(20-4)12-8-16/h5-12H,1-4H3/b14-13-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.4223 kcal/mol

Physical Properties
Molecular Weight: 268.356 g/mol	logS: -5.02062	SlogP: 4.6544	Reactive groups: 0

Topological Properties
Globularity: 0.214409	Sterimol/B1: 3.64451	Sterimol/B2: 3.96531	Sterimol/B3: 4.0839
Sterimol/B4: 6.91682	Sterimol/L: 11.6244

Surface and Volume Properties
Accessible surface: 525.152	Positive charged surface: 385.323	Negative charged surface: 139.829	Volume: 286.5
Hydrophobic surface: 504.337	Hydrophilic surface: 20.815

Pharmacophoric Properties
Hydrogen bond donors: 0	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.