MMsINC Database Search


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MMsINC code: MMs03149465

Type: Neutral
Formula: C₂₄H₂₂N₂O

SMILES:

O=C(NC(C)c1ccccc1)c1n(c2c(c1)cccc2)Cc1ccccc1

InChI:

InChI=1/C24H22N2O/c1-18(20-12-6-3-7-13-20)25-24(27)23-16-21-14-8-9-15-22(21)26(23)17-19-10-4-2-5-11-19/h2-16,18H,17H2,1H3,(H,25,27)/t18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.6209 kcal/mol

Physical Properties
Molecular Weight: 354.453 g/mol	logS: -5.73085	SlogP: 5.5425	Reactive groups: 0

Topological Properties
Globularity: 0.124756	Sterimol/B1: 2.18303	Sterimol/B2: 5.77185	Sterimol/B3: 6.28268
Sterimol/B4: 6.34265	Sterimol/L: 15.6012

Surface and Volume Properties
Accessible surface: 631.934	Positive charged surface: 347.292	Negative charged surface: 278.953	Volume: 365.125
Hydrophobic surface: 582.063	Hydrophilic surface: 49.871

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