MMsINC Database Search


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

MMsINC code: MMs01412473

Type: Neutral
Formula: C₂₄H₂₃NO₄

SMILES:

O(CC(=O)NC(c1ccccc1)c1ccccc1)c1cc(OC)ccc1C(=O)C

InChI:

InChI=1/C24H23NO4/c1-17(26)21-14-13-20(28-2)15-22(21)29-16-23(27)25-24(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-15,24H,16H2,1-2H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=121.495 kcal/mol

Physical Properties
Molecular Weight: 389.451 g/mol	logS: -5.50628	SlogP: 4.2779	Reactive groups: 0

Topological Properties
Globularity: 0.108687	Sterimol/B1: 2.52842	Sterimol/B2: 2.90374	Sterimol/B3: 6.87822
Sterimol/B4: 8.81755	Sterimol/L: 16.335

Surface and Volume Properties
Accessible surface: 690.696	Positive charged surface: 426.401	Negative charged surface: 264.295	Volume: 382.625
Hydrophobic surface: 613.268	Hydrophilic surface: 77.428

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.