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MMsINC code: MMs03961348

Type: Neutral
Formula: C₂₄H₂₀N₂O₂

SMILES:

O=C1N(CCO)C(c2c1cccc2)c1c2c([nH]c1-c1ccccc1)cccc2

InChI:

InChI=1/C24H20N2O2/c27-15-14-26-23(17-10-4-5-11-18(17)24(26)28)21-19-12-6-7-13-20(19)25-22(21)16-8-2-1-3-9-16/h1-13,23,25,27H,14-15H2/t23-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.3682 kcal/mol

Physical Properties
Molecular Weight: 368.436 g/mol	logS: -5.79786	SlogP: 4.4679	Reactive groups: 0

Topological Properties
Globularity: 0.545982	Sterimol/B1: 3.9092	Sterimol/B2: 5.17191	Sterimol/B3: 6.47564
Sterimol/B4: 7.49894	Sterimol/L: 12.871

Surface and Volume Properties
Accessible surface: 606.683	Positive charged surface: 353.24	Negative charged surface: 252.03	Volume: 358.375
Hydrophobic surface: 515.007	Hydrophilic surface: 91.676

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