MMsINC Database Search


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MMsINC code: MMs00688730

Type: Neutral
Formula: C₂₄H₂₂N₂O₂

SMILES:

o1c2cc(C)c(cc2nc1-c1cc(NC(=O)Cc2ccccc2)c(cc1)C)C

InChI:

InChI=1/C24H22N2O2/c1-15-9-10-19(24-26-21-11-16(2)17(3)12-22(21)28-24)14-20(15)25-23(27)13-18-7-5-4-6-8-18/h4-12,14H,13H2,1-3H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.784 kcal/mol

Physical Properties
Molecular Weight: 370.452 g/mol	logS: -7.84032	SlogP: 5.60123	Reactive groups: 0

Topological Properties
Globularity: 0.034016	Sterimol/B1: 2.42339	Sterimol/B2: 3.53346	Sterimol/B3: 3.92387
Sterimol/B4: 11.4809	Sterimol/L: 16.2748

Surface and Volume Properties
Accessible surface: 686.074	Positive charged surface: 413.717	Negative charged surface: 272.357	Volume: 370.75
Hydrophobic surface: 619.383	Hydrophilic surface: 66.691

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.