MMsINC Database Search


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MMsINC code: MMs01213419

Type: Neutral
Formula: C₂₄H₂₀N₂O

SMILES:

O=C(NC(c1ccccc1)c1ccccc1)c1cc(nc2c1cccc2)C

InChI:

InChI=1/C24H20N2O/c1-17-16-21(20-14-8-9-15-22(20)25-17)24(27)26-23(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-16,23H,1H3,(H,26,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.7408 kcal/mol

Physical Properties
Molecular Weight: 352.437 g/mol	logS: -5.96874	SlogP: 5.15812	Reactive groups: 0

Topological Properties
Globularity: 0.161412	Sterimol/B1: 2.07741	Sterimol/B2: 3.77747	Sterimol/B3: 5.54296
Sterimol/B4: 9.37432	Sterimol/L: 15.0727

Surface and Volume Properties
Accessible surface: 630.433	Positive charged surface: 346.839	Negative charged surface: 278.551	Volume: 356.75
Hydrophobic surface: 593.08	Hydrophilic surface: 37.353

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.