MMsINC Database Search


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MMsINC code: MMs00551774

Type: Neutral
Formula: C₂₄H₂₂N₂O

SMILES:

O=C(Nc1ccc(cc1)C)Cc1n(c2c(c1)cccc2)Cc1ccccc1

InChI:

InChI=1/C24H22N2O/c1-18-11-13-21(14-12-18)25-24(27)16-22-15-20-9-5-6-10-23(20)26(22)17-19-7-3-2-4-8-19/h2-15H,16-17H2,1H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.945 kcal/mol

Physical Properties
Molecular Weight: 354.453 g/mol	logS: -5.99499	SlogP: 5.44559	Reactive groups: 0

Topological Properties
Globularity: 0.143839	Sterimol/B1: 2.41596	Sterimol/B2: 4.88217	Sterimol/B3: 5.75428
Sterimol/B4: 5.8395	Sterimol/L: 16.7027

Surface and Volume Properties
Accessible surface: 613.87	Positive charged surface: 364.899	Negative charged surface: 243.581	Volume: 365.375
Hydrophobic surface: 572.513	Hydrophilic surface: 41.357

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 1

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Ions/Tautomers related molecules: no related molecules available.