MMsINC Database Search


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

MMsINC code: MMs00215722

Type: Neutral
Formula: C₂₄H₁₉NO₄

SMILES:

O1c2c(C=C(C(=O)N(Cc3ccc(OC)cc3)c3ccccc3)C1=O)cccc2

InChI:

InChI=1/C24H19NO4/c1-28-20-13-11-17(12-14-20)16-25(19-8-3-2-4-9-19)23(26)21-15-18-7-5-6-10-22(18)29-24(21)27/h2-15H,16H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=155.693 kcal/mol

Physical Properties
Molecular Weight: 385.419 g/mol	logS: -6.48931	SlogP: 4.4974	Reactive groups: 0

Topological Properties
Globularity: 0.120652	Sterimol/B1: 2.47951	Sterimol/B2: 3.49153	Sterimol/B3: 4.23762
Sterimol/B4: 10.5915	Sterimol/L: 15.6646

Surface and Volume Properties
Accessible surface: 626.264	Positive charged surface: 351.283	Negative charged surface: 274.981	Volume: 362.875
Hydrophobic surface: 539.15	Hydrophilic surface: 87.114

Pharmacophoric Properties
Hydrogen bond donors: 0	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.