MMsINC Database Search


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MMsINC code: MMs01226064

Type: Neutral
Formula: C₁₇H₂₅NO₄

SMILES:

O(C)c1c(OC)cc(cc1OC)C(=O)NC1CCCCCC1

InChI:

InChI=1/C17H25NO4/c1-20-14-10-12(11-15(21-2)16(14)22-3)17(19)18-13-8-6-4-5-7-9-13/h10-11,13H,4-9H2,1-3H3,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.8215 kcal/mol

Physical Properties
Molecular Weight: 307.39 g/mol	logS: -3.66851	SlogP: 3.165	Reactive groups: 0

Topological Properties
Globularity: 0.0519757	Sterimol/B1: 2.19112	Sterimol/B2: 3.49858	Sterimol/B3: 3.55618
Sterimol/B4: 9.42141	Sterimol/L: 16.5636

Surface and Volume Properties
Accessible surface: 580.967	Positive charged surface: 474.552	Negative charged surface: 106.415	Volume: 309.125
Hydrophobic surface: 527.36	Hydrophilic surface: 53.607

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.