MMsINC Database Search


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MMsINC code: MMs02564164

Type: Neutral
Formula: C₁₉H₂₄O₃

SMILES:

O1c2cc(O)c(cc2C2=C(CCCC2)C1=O)CCCCCC

InChI:

InChI=1/C19H24O3/c1-2-3-4-5-8-13-11-16-14-9-6-7-10-15(14)19(21)22-18(16)12-17(13)20/h11-12,20H,2-10H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.9232 kcal/mol

Physical Properties
Molecular Weight: 300.398 g/mol	logS: -6.42137	SlogP: 4.76157	Reactive groups: 0

Topological Properties
Globularity: 0.0484177	Sterimol/B1: 2.14335	Sterimol/B2: 3.56685	Sterimol/B3: 4.56671
Sterimol/B4: 6.71455	Sterimol/L: 17.2785

Surface and Volume Properties
Accessible surface: 570.18	Positive charged surface: 406.38	Negative charged surface: 163.8	Volume: 307.5
Hydrophobic surface: 451.507	Hydrophilic surface: 118.673

Pharmacophoric Properties
Hydrogen bond donors: 1	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.