MMsINC Database Search


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MMsINC code: MMs00192964

Type: Neutral
Formula: C₂₄H₂₂N₂O₂

SMILES:

o1c2c(nc1-c1cc(NC(=O)c3cc(C)c(cc3)C)ccc1)cc(cc2)CC

InChI:

InChI=1/C24H22N2O2/c1-4-17-9-11-22-21(13-17)26-24(28-22)19-6-5-7-20(14-19)25-23(27)18-10-8-15(2)16(3)12-18/h5-14H,4H2,1-3H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.762 kcal/mol

Physical Properties
Molecular Weight: 370.452 g/mol	logS: -8.60752	SlogP: 5.92631	Reactive groups: 0

Topological Properties
Globularity: 0.0186321	Sterimol/B1: 2.12662	Sterimol/B2: 3.86848	Sterimol/B3: 4.35764
Sterimol/B4: 8.14748	Sterimol/L: 21.1346

Surface and Volume Properties
Accessible surface: 677.073	Positive charged surface: 405.49	Negative charged surface: 271.583	Volume: 372.5
Hydrophobic surface: 578.971	Hydrophilic surface: 98.102

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.