MMsINC Database Search


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MMsINC code: MMs00643593

Type: Neutral
Formula: C₂₄H₂₀N₂O

SMILES:

O=C(CC(Nc1cc2c(nccc2)cc1)c1ccccc1)c1ccccc1

InChI:

InChI=1/C24H20N2O/c27-24(19-10-5-2-6-11-19)17-23(18-8-3-1-4-9-18)26-21-13-14-22-20(16-21)12-7-15-25-22/h1-16,23,26H,17H2/t23-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.296 kcal/mol

Physical Properties
Molecular Weight: 352.437 g/mol	logS: -5.51895	SlogP: 5.7565	Reactive groups: 0

Topological Properties
Globularity: 0.0981182	Sterimol/B1: 2.51797	Sterimol/B2: 3.538	Sterimol/B3: 4.44761
Sterimol/B4: 10.4579	Sterimol/L: 17.4367

Surface and Volume Properties
Accessible surface: 642.658	Positive charged surface: 364.41	Negative charged surface: 272.76	Volume: 355.625
Hydrophobic surface: 590.238	Hydrophilic surface: 52.42

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.