MMsINC Database Search


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MMsINC code: MMs01757926

Type: Neutral
Formula: C₂₄H₂₀N₂O

SMILES:

O=C1N(CCc2c1n(c1c2cccc1)Cc1ccccc1)c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.806 kcal/mol

Physical Properties
Molecular Weight: 352.437 g/mol	logS: -5.53748	SlogP: 5.15887	Reactive groups: 0

Topological Properties
Globularity: 0.0940973	Sterimol/B1: 2.31018	Sterimol/B2: 2.47716	Sterimol/B3: 4.77443
Sterimol/B4: 9.78616	Sterimol/L: 15.4571

Surface and Volume Properties
Accessible surface: 594.847	Positive charged surface: 353.48	Negative charged surface: 236.13	Volume: 354.75
Hydrophobic surface: 566.676	Hydrophilic surface: 28.171

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.