MMsINC Database Search


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

MMsINC code: MMs00180764

Type: Neutral
Formula: C₂₄H₂₄N₂O₃

SMILES:

O(CC)c1c2c(cccc2)c(cc1)\C=C(\NC(=O)c1ccccc1)/C(=O)N(C)C

InChI:

InChI=1/C24H24N2O3/c1-4-29-22-15-14-18(19-12-8-9-13-20(19)22)16-21(24(28)26(2)3)25-23(27)17-10-6-5-7-11-17/h5-16H,4H2,1-3H3,(H,25,27)/b21-16+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=140.584 kcal/mol

Physical Properties
Molecular Weight: 388.467 g/mol	logS: -6.19233	SlogP: 4.0976	Reactive groups: 0

Topological Properties
Globularity: 0.0665132	Sterimol/B1: 2.64946	Sterimol/B2: 3.11983	Sterimol/B3: 5.45076
Sterimol/B4: 8.06937	Sterimol/L: 19.2268

Surface and Volume Properties
Accessible surface: 665.042	Positive charged surface: 432.848	Negative charged surface: 226.462	Volume: 386.125
Hydrophobic surface: 596.041	Hydrophilic surface: 69.001

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: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.