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MMsINC code: MMs01703811

Type: Neutral
Formula: C₂₄H₂₀N₂O₃

SMILES:

O(C(=O)c1ccc(cc1)CO)Cc1cn(nc1-c1ccccc1)-c1ccccc1

InChI:

InChI=1/C24H20N2O3/c27-16-18-11-13-20(14-12-18)24(28)29-17-21-15-26(22-9-5-2-6-10-22)25-23(21)19-7-3-1-4-8-19/h1-15,27H,16-17H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.074 kcal/mol

Physical Properties
Molecular Weight: 384.435 g/mol	logS: -5.85462	SlogP: 4.9214	Reactive groups: 0

Topological Properties
Globularity: 0.014425	Sterimol/B1: 2.44725	Sterimol/B2: 2.77207	Sterimol/B3: 2.81523
Sterimol/B4: 12.6188	Sterimol/L: 17.7688

Surface and Volume Properties
Accessible surface: 690.715	Positive charged surface: 369.162	Negative charged surface: 321.553	Volume: 374.125
Hydrophobic surface: 556.335	Hydrophilic surface: 134.38

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