MMsINC Database Search


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MMsINC code: MMs01103887

Type: Neutral
Formula: C₂₀H₁₈O₃

SMILES:

O1c2c(ccc(OCc3ccccc3)c2)C(C)=C(CC=C)C1=O

InChI:

InChI=1/C20H18O3/c1-3-7-18-14(2)17-11-10-16(12-19(17)23-20(18)21)22-13-15-8-5-4-6-9-15/h3-6,8-12H,1,7,13H2,2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.8627 kcal/mol

Physical Properties
Molecular Weight: 306.361 g/mol	logS: -5.93432	SlogP: 4.8006	Reactive groups: 0

Topological Properties
Globularity: 0.0430779	Sterimol/B1: 2.16155	Sterimol/B2: 3.45066	Sterimol/B3: 3.71056
Sterimol/B4: 6.37926	Sterimol/L: 18.9238

Surface and Volume Properties
Accessible surface: 581.782	Positive charged surface: 320.531	Negative charged surface: 261.252	Volume: 304.5
Hydrophobic surface: 472.551	Hydrophilic surface: 109.231

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.