MMsINC Database Search


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MMsINC code: MMs03263860

Type: Neutral
Formula: C₁₈H₂₀O₃

SMILES:

O(CCCC)c1cc(O)c(cc1)C(=O)Cc1ccccc1

InChI:

InChI=1/C18H20O3/c1-2-3-11-21-15-9-10-16(18(20)13-15)17(19)12-14-7-5-4-6-8-14/h4-10,13,20H,2-3,11-12H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.7343 kcal/mol

Physical Properties
Molecular Weight: 284.355 g/mol	logS: -4.25179	SlogP: 3.99647	Reactive groups: 0

Topological Properties
Globularity: 0.0324304	Sterimol/B1: 2.48317	Sterimol/B2: 3.59433	Sterimol/B3: 3.6472
Sterimol/B4: 5.55505	Sterimol/L: 19.6382

Surface and Volume Properties
Accessible surface: 569.56	Positive charged surface: 369.317	Negative charged surface: 200.243	Volume: 290.875
Hydrophobic surface: 476.677	Hydrophilic surface: 92.883

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.