MMsINC Database Search


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MMsINC code: MMs00691526

Type: Neutral
Formula: C₂₃H₂₄N₂O₂

SMILES:

O(c1ccc(\N=C\c2ccc(N(CC)CC)cc2O)cc1)c1ccccc1

InChI:

InChI=1/C23H24N2O2/c1-3-25(4-2)20-13-10-18(23(26)16-20)17-24-19-11-14-22(15-12-19)27-21-8-6-5-7-9-21/h5-17,26H,3-4H2,1-2H3/b24-17+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.877 kcal/mol

Physical Properties
Molecular Weight: 360.457 g/mol	logS: -5.31221	SlogP: 5.7813	Reactive groups: 0

Topological Properties
Globularity: 0.025109	Sterimol/B1: 2.2788	Sterimol/B2: 2.43284	Sterimol/B3: 4.47047
Sterimol/B4: 6.43594	Sterimol/L: 20.2922

Surface and Volume Properties
Accessible surface: 672.647	Positive charged surface: 429.642	Negative charged surface: 243.005	Volume: 372.25
Hydrophobic surface: 561.556	Hydrophilic surface: 111.091

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.