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MMsINC code: MMs01049965

Type: Neutral
Formula: C₂₄H₂₂N₂O₂

SMILES:

O=C1N(Cc2c1cccc2)C(C(=O)Nc1ccc(cc1)CC)c1ccccc1

InChI:

InChI=1/C24H22N2O2/c1-2-17-12-14-20(15-13-17)25-23(27)22(18-8-4-3-5-9-18)26-16-19-10-6-7-11-21(19)24(26)28/h3-15,22H,2,16H2,1H3,(H,25,27)/t22-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.282 kcal/mol

Physical Properties
Molecular Weight: 370.452 g/mol	logS: -6.30089	SlogP: 4.94667	Reactive groups: 0

Topological Properties
Globularity: 0.0589158	Sterimol/B1: 3.01792	Sterimol/B2: 4.53916	Sterimol/B3: 4.72739
Sterimol/B4: 8.28676	Sterimol/L: 18.3175

Surface and Volume Properties
Accessible surface: 652.658	Positive charged surface: 387.417	Negative charged surface: 265.24	Volume: 371.875
Hydrophobic surface: 576.788	Hydrophilic surface: 75.87

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.