MMsINC Database Search


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MMsINC code: MMs02733168

Type: Neutral
Formula: C₂₄H₂₄N₂O₃

SMILES:

O(C)c1c(cc(cc1\C=N\c1ccc(OC)cc1)C)\C=N\c1ccc(OC)cc1

InChI:

InChI=1/C24H24N2O3/c1-17-13-18(15-25-20-5-9-22(27-2)10-6-20)24(29-4)19(14-17)16-26-21-7-11-23(28-3)12-8-21/h5-16H,1-4H3/b25-15+,26-16+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=131.478 kcal/mol

Physical Properties
Molecular Weight: 388.467 g/mol	logS: -5.85942	SlogP: 5.52202	Reactive groups: 0

Topological Properties
Globularity: 0.0318785	Sterimol/B1: 1.969	Sterimol/B2: 3.29088	Sterimol/B3: 3.47286
Sterimol/B4: 10.4185	Sterimol/L: 21.3911

Surface and Volume Properties
Accessible surface: 701.603	Positive charged surface: 499.332	Negative charged surface: 202.27	Volume: 391.875
Hydrophobic surface: 652.987	Hydrophilic surface: 48.616

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 5	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.