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MMsINC code: MMs01405630

Type: Tautomer
Formula: C₂₃H₂₄N₂O₃

SMILES:

O(C)c1cc(NC(=O)C(NCc2ccc(OC)cc2)c2ccccc2)ccc1

InChI:

InChI=1/C23H24N2O3/c1-27-20-13-11-17(12-14-20)16-24-22(18-7-4-3-5-8-18)23(26)25-19-9-6-10-21(15-19)28-2/h3-15,22,24H,16H2,1-2H3,(H,25,26)/t22-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=131.331 kcal/mol

Physical Properties
Molecular Weight: 376.456 g/mol	logS: -4.99047	SlogP: 4.5353	Reactive groups: 0

Topological Properties
Globularity: 0.0530261	Sterimol/B1: 2.94464	Sterimol/B2: 3.47839	Sterimol/B3: 4.24603
Sterimol/B4: 9.60164	Sterimol/L: 20.4451

Surface and Volume Properties
Accessible surface: 695.733	Positive charged surface: 465.975	Negative charged surface: 229.758	Volume: 377
Hydrophobic surface: 631.319	Hydrophilic surface: 64.414

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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:

MMs01405629
ENAMINE-ZINC03378853