MMsINC Database Search


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MMsINC code: MMs00865711

Type: Neutral
Formula: C₂₄H₂₂N₂O₂

SMILES:

O=C1N(c2cccc(C)c2C)C(=O)c2c3c1ccc(N1CCCC1)c3ccc2

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=176.703 kcal/mol

Physical Properties
Molecular Weight: 370.452 g/mol	logS: -6.75065	SlogP: 4.85744	Reactive groups: 0

Topological Properties
Globularity: 0.0845653	Sterimol/B1: 2.62033	Sterimol/B2: 3.09649	Sterimol/B3: 5.99243
Sterimol/B4: 6.80379	Sterimol/L: 17.5526

Surface and Volume Properties
Accessible surface: 616.013	Positive charged surface: 381.579	Negative charged surface: 224.76	Volume: 361.875
Hydrophobic surface: 550.692	Hydrophilic surface: 65.321

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

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Ions/Tautomers related molecules: no related molecules available.