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MMsINC code: MMs03033967

Type: Neutral
Formula: C₂₀H₂₃NO₄

SMILES:

O(C)c1c2c(CC3N(C2)CCc2cc(O)c(OC)cc23)ccc1OC

InChI:

InChI=1/C20H23NO4/c1-23-18-5-4-12-8-16-14-10-19(24-2)17(22)9-13(14)6-7-21(16)11-15(12)20(18)25-3/h4-5,9-10,16,22H,6-8,11H2,1-3H3/t16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=122.064 kcal/mol

Physical Properties
Molecular Weight: 341.407 g/mol	logS: -3.18116	SlogP: 3.43534	Reactive groups: 0

Topological Properties
Globularity: 0.0367119	Sterimol/B1: 2.7359	Sterimol/B2: 3.32238	Sterimol/B3: 3.67969
Sterimol/B4: 7.04096	Sterimol/L: 16.8289

Surface and Volume Properties
Accessible surface: 589.654	Positive charged surface: 470.71	Negative charged surface: 118.944	Volume: 328.875
Hydrophobic surface: 511.818	Hydrophilic surface: 77.836

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

MMs03033968
PUBCHEM-ZINC03650853