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MMsINC code: MMs01646780

Type: Tautomer
Formula: C₂₃H₂₄N₂O₃

SMILES:

O(c1ccccc1NC(=O)CNC(C)c1ccccc1OC)c1ccccc1

InChI:

InChI=1/C23H24N2O3/c1-17(19-12-6-8-14-21(19)27-2)24-16-23(26)25-20-13-7-9-15-22(20)28-18-10-4-3-5-11-18/h3-15,17,24H,16H2,1-2H3,(H,25,26)/t17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=132.807 kcal/mol

Physical Properties
Molecular Weight: 376.456 g/mol	logS: -5.28211	SlogP: 4.8723	Reactive groups: 0

Topological Properties
Globularity: 0.0517823	Sterimol/B1: 2.05958	Sterimol/B2: 4.97469	Sterimol/B3: 6.21614
Sterimol/B4: 6.21665	Sterimol/L: 19.3911

Surface and Volume Properties
Accessible surface: 689.672	Positive charged surface: 445.52	Negative charged surface: 244.152	Volume: 376.125
Hydrophobic surface: 618.397	Hydrophilic surface: 71.275

Pharmacophoric Properties
Hydrogen bond donors: 2	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

search links for this molecule:

Parent related molecule:

MMs01646779
ENAMINE-ZINC05937767