MMsINC Database Search


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

MMsINC code: MMs01181472

Type: Neutral
Formula: C₂₇H₂₃NO₃

SMILES:

o1cccc1CN(C(=O)c1cc2CCOc2cc1)Cc1cc(ccc1)-c1ccccc1

InChI:

InChI=1/C27H23NO3/c29-27(24-11-12-26-23(17-24)13-15-31-26)28(19-25-10-5-14-30-25)18-20-6-4-9-22(16-20)21-7-2-1-3-8-21/h1-12,14,16-17H,13,15,18-19H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=155.786 kcal/mol

Physical Properties
Molecular Weight: 409.485 g/mol	logS: -7.37302	SlogP: 6.25687	Reactive groups: 0

Topological Properties
Globularity: 0.12788	Sterimol/B1: 2.19502	Sterimol/B2: 4.56992	Sterimol/B3: 6.78979
Sterimol/B4: 7.84384	Sterimol/L: 17.9132

Surface and Volume Properties
Accessible surface: 682.552	Positive charged surface: 377.707	Negative charged surface: 293.608	Volume: 404
Hydrophobic surface: 628.655	Hydrophilic surface: 53.897

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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: 0

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.