MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs00410937

Type: Neutral
Formula: C₂₄H₂₀N₂O₃

SMILES:

O(C)c1cc(ccc1)C(NC(=O)c1ccccc1)c1ccc2c(nccc2)c1O

InChI:

InChI=1/C24H20N2O3/c1-29-19-11-5-9-18(15-19)21(26-24(28)17-7-3-2-4-8-17)20-13-12-16-10-6-14-25-22(16)23(20)27/h2-15,21,27H,1H3,(H,26,28)/t21-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.424 kcal/mol

Physical Properties
Molecular Weight: 384.435 g/mol	logS: -5.34378	SlogP: 4.5639	Reactive groups: 0

Topological Properties
Globularity: 0.14088	Sterimol/B1: 2.24345	Sterimol/B2: 4.20312	Sterimol/B3: 4.46519
Sterimol/B4: 11.5562	Sterimol/L: 16.444

Surface and Volume Properties
Accessible surface: 655.692	Positive charged surface: 403.037	Negative charged surface: 247.574	Volume: 371.875
Hydrophobic surface: 564.019	Hydrophilic surface: 91.673

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.