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MMsINC code: MMs00170767

Type: Neutral
Formula: C₂₃H₂₁N₃O₃

SMILES:

O(C)c1cc(ccc1OC)CC(=O)Nc1cc(ccc1)-c1[nH]c2c(n1)cccc2

InChI:

InChI=1/C23H21N3O3/c1-28-20-11-10-15(12-21(20)29-2)13-22(27)24-17-7-5-6-16(14-17)23-25-18-8-3-4-9-19(18)26-23/h3-12,14H,13H2,1-2H3,(H,24,27)(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=115.264 kcal/mol

Physical Properties
Molecular Weight: 387.439 g/mol	logS: -6.62246	SlogP: 4.42827	Reactive groups: 0

Topological Properties
Globularity: 0.0791443	Sterimol/B1: 2.47748	Sterimol/B2: 3.62882	Sterimol/B3: 5.37098
Sterimol/B4: 10.4417	Sterimol/L: 16.3152

Surface and Volume Properties
Accessible surface: 696.718	Positive charged surface: 472.232	Negative charged surface: 224.487	Volume: 371.75
Hydrophobic surface: 606.475	Hydrophilic surface: 90.243

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 5	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.