MMsINC Database Search


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

MMsINC code: MMs00688445

Type: Neutral
Formula: C₂₄H₂₅NO₄

SMILES:

O(CC)c1ccc(cc1)C(NC(=O)c1ccc(OC)cc1)c1ccc(OC)cc1

InChI:

InChI=1/C24H25NO4/c1-4-29-22-15-7-18(8-16-22)23(17-5-11-20(27-2)12-6-17)25-24(26)19-9-13-21(28-3)14-10-19/h5-16,23H,4H2,1-3H3,(H,25,26)/t23-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.992 kcal/mol

Physical Properties
Molecular Weight: 391.467 g/mol	logS: -5.54516	SlogP: 4.7174	Reactive groups: 0

Topological Properties
Globularity: 0.174174	Sterimol/B1: 2.23306	Sterimol/B2: 3.4478	Sterimol/B3: 5.56545
Sterimol/B4: 12.1701	Sterimol/L: 17.463

Surface and Volume Properties
Accessible surface: 707.995	Positive charged surface: 475.453	Negative charged surface: 232.542	Volume: 389.125
Hydrophobic surface: 627.176	Hydrophilic surface: 80.819

Pharmacophoric Properties
Hydrogen bond donors: 1	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.