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MMsINC code: MMs00723676

Type: Neutral
Formula: C₂₀H₂₅NO₄

SMILES:

O(CCNC(=O)c1cc(OC)cc(OC)c1)c1ccccc1CCC

InChI:

InChI=1/C20H25NO4/c1-4-7-15-8-5-6-9-19(15)25-11-10-21-20(22)16-12-17(23-2)14-18(13-16)24-3/h5-6,8-9,12-14H,4,7,10-11H2,1-3H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.521 kcal/mol

Physical Properties
Molecular Weight: 343.423 g/mol	logS: -4.6674	SlogP: 3.46507	Reactive groups: 0

Topological Properties
Globularity: 0.153104	Sterimol/B1: 2.49439	Sterimol/B2: 2.50412	Sterimol/B3: 7.66809
Sterimol/B4: 7.78249	Sterimol/L: 17.6815

Surface and Volume Properties
Accessible surface: 653.489	Positive charged surface: 468.508	Negative charged surface: 184.981	Volume: 348
Hydrophobic surface: 570.667	Hydrophilic surface: 82.822

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.