MMsINC Database Search


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MMsINC code: MMs02380228

Type: Neutral
Formula: C₁₇H₂₀O₂

SMILES:

Oc1c(cc(cc1C)Cc1cc(C)c(O)c(c1)C)C

InChI:

InChI=1/C17H20O2/c1-10-5-14(6-11(2)16(10)18)9-15-7-12(3)17(19)13(4)8-15/h5-8,18-19H,9H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.0793 kcal/mol

Physical Properties
Molecular Weight: 256.345 g/mol	logS: -3.41924	SlogP: 3.92225	Reactive groups: 0

Topological Properties
Globularity: 0.106598	Sterimol/B1: 2.24333	Sterimol/B2: 2.53871	Sterimol/B3: 4.61364
Sterimol/B4: 7.25839	Sterimol/L: 13.4703

Surface and Volume Properties
Accessible surface: 516.009	Positive charged surface: 345.863	Negative charged surface: 170.146	Volume: 274.375
Hydrophobic surface: 443.723	Hydrophilic surface: 72.286

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.