MMsINC Database Search


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

MMsINC code: MMs01428572

Type: Neutral
Formula: C₂₄H₂₃NO₃

SMILES:

O(CC(=O)c1cc(n(c1C)C1CC1)C)c1ccc(cc1)C(=O)c1ccccc1

InChI:

InChI=1/C24H23NO3/c1-16-14-22(17(2)25(16)20-10-11-20)23(26)15-28-21-12-8-19(9-13-21)24(27)18-6-4-3-5-7-18/h3-9,12-14,20H,10-11,15H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=126.768 kcal/mol

Physical Properties
Molecular Weight: 373.452 g/mol	logS: -5.12371	SlogP: 5.02804	Reactive groups: 0

Topological Properties
Globularity: 0.0157806	Sterimol/B1: 2.11001	Sterimol/B2: 2.88617	Sterimol/B3: 3.21894
Sterimol/B4: 6.93762	Sterimol/L: 21.6796

Surface and Volume Properties
Accessible surface: 671.613	Positive charged surface: 388.142	Negative charged surface: 283.471	Volume: 376.125
Hydrophobic surface: 564.111	Hydrophilic surface: 107.502

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: 1	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.