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MMsINC code: MMs01490808

Type: Neutral
Formula: C₂₀H₂₃NO₃

SMILES:

O(C)c1cc(cc(OC)c1C)C(=O)NC1CCCc2c1cccc2

InChI:

InChI=1/C20H23NO3/c1-13-18(23-2)11-15(12-19(13)24-3)20(22)21-17-10-6-8-14-7-4-5-9-16(14)17/h4-5,7,9,11-12,17H,6,8,10H2,1-3H3,(H,21,22)/t17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.9543 kcal/mol

Physical Properties
Molecular Weight: 325.408 g/mol	logS: -4.461	SlogP: 3.91509	Reactive groups: 0

Topological Properties
Globularity: 0.115528	Sterimol/B1: 3.8233	Sterimol/B2: 4.47479	Sterimol/B3: 5.20269
Sterimol/B4: 5.90095	Sterimol/L: 15.2556

Surface and Volume Properties
Accessible surface: 592.317	Positive charged surface: 437.329	Negative charged surface: 154.988	Volume: 326.375
Hydrophobic surface: 558.085	Hydrophilic surface: 34.232

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.