MMsINC Database Search


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MMsINC code: MMs00654066

Type: Neutral
Formula: C₁₅H₁₉NO₆

SMILES:

O1CCCC1C(=O)Nc1cc(OC)c(OC)cc1C(OC)=O

InChI:

InChI=1/C15H19NO6/c1-19-12-7-9(15(18)21-3)10(8-13(12)20-2)16-14(17)11-5-4-6-22-11/h7-8,11H,4-6H2,1-3H3,(H,16,17)/t11-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.323 kcal/mol

Physical Properties
Molecular Weight: 309.318 g/mol	logS: -2.76448	SlogP: 1.6079	Reactive groups: 0

Topological Properties
Globularity: 0.0433711	Sterimol/B1: 2.97389	Sterimol/B2: 3.20947	Sterimol/B3: 5.51246
Sterimol/B4: 7.47115	Sterimol/L: 15.1818

Surface and Volume Properties
Accessible surface: 560.517	Positive charged surface: 463.157	Negative charged surface: 97.3601	Volume: 284.375
Hydrophobic surface: 471.819	Hydrophilic surface: 88.698

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.