MMsINC Database Search


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MMsINC code: MMs02693248

Type: Neutral
Formula: C₁₄H₁₉NO₅

SMILES:

O1CCN(CC1)C(=O)c1cc(OC)c(OC)cc1OC

InChI:

InChI=1/C14H19NO5/c1-17-11-9-13(19-3)12(18-2)8-10(11)14(16)15-4-6-20-7-5-15/h8-9H,4-7H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.956 kcal/mol

Physical Properties
Molecular Weight: 281.308 g/mol	logS: -1.86764	SlogP: 1.1848	Reactive groups: 0

Topological Properties
Globularity: 0.115104	Sterimol/B1: 2.50316	Sterimol/B2: 3.31547	Sterimol/B3: 4.46262
Sterimol/B4: 9.7098	Sterimol/L: 14.1981

Surface and Volume Properties
Accessible surface: 508.6	Positive charged surface: 436.74	Negative charged surface: 71.8599	Volume: 266.375
Hydrophobic surface: 443.44	Hydrophilic surface: 65.16

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 5	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.