MMsINC Database Search


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MMsINC code: MMs03314401

Type: Neutral
Formula: C₂₃H₂₄N₂O₂

SMILES:

O(CC)c1ccc(N\C(=N/c2ccc(OCC)cc2)\c2ccccc2)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.09 kcal/mol

Physical Properties
Molecular Weight: 360.457 g/mol	logS: -6.02868	SlogP: 5.6744	Reactive groups: 0

Topological Properties
Globularity: 0.055012	Sterimol/B1: 3.00917	Sterimol/B2: 3.20593	Sterimol/B3: 4.38987
Sterimol/B4: 8.87205	Sterimol/L: 18.4234

Surface and Volume Properties
Accessible surface: 672.065	Positive charged surface: 442.201	Negative charged surface: 229.864	Volume: 368.875
Hydrophobic surface: 592.896	Hydrophilic surface: 79.169

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.