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MMsINC code: MMs00563260

Type: Neutral
Formula: C₂₄H₂₀N₂O₂

SMILES:

O=C(C(=O)NCc1ccccc1)c1c2c(n(C)c1-c1ccccc1)cccc2

InChI:

InChI=1/C24H20N2O2/c1-26-20-15-9-8-14-19(20)21(22(26)18-12-6-3-7-13-18)23(27)24(28)25-16-17-10-4-2-5-11-17/h2-15H,16H2,1H3,(H,25,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.086 kcal/mol

Physical Properties
Molecular Weight: 368.436 g/mol	logS: -6.20935	SlogP: 4.97	Reactive groups: 0

Topological Properties
Globularity: 0.0516076	Sterimol/B1: 3.07585	Sterimol/B2: 3.94168	Sterimol/B3: 6.35071
Sterimol/B4: 7.42124	Sterimol/L: 16.7044

Surface and Volume Properties
Accessible surface: 652.206	Positive charged surface: 364.046	Negative charged surface: 283.997	Volume: 366.875
Hydrophobic surface: 585.188	Hydrophilic surface: 67.018

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.