MMsINC Database Search


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

MMsINC code: MMs01138032

Type: Neutral
Formula: C₂₅H₂₉FN₂O₂

SMILES:

Fc1ccc(-n2c(cc(C(=O)NCCCCCC)c2C)-c2cc(OC)ccc2)cc1

InChI:

InChI=1/C25H29FN2O2/c1-4-5-6-7-15-27-25(29)23-17-24(19-9-8-10-22(16-19)30-3)28(18(23)2)21-13-11-20(26)12-14-21/h8-14,16-17H,4-7,15H2,1-3H3,(H,27,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.6534 kcal/mol

Physical Properties
Molecular Weight: 408.517 g/mol	logS: -6.82067	SlogP: 5.91052	Reactive groups: 0

Topological Properties
Globularity: 0.0229052	Sterimol/B1: 3.23156	Sterimol/B2: 3.74851	Sterimol/B3: 4.51142
Sterimol/B4: 7.02996	Sterimol/L: 21.4779

Surface and Volume Properties
Accessible surface: 731.646	Positive charged surface: 497.164	Negative charged surface: 234.482	Volume: 413.875
Hydrophobic surface: 655.853	Hydrophilic surface: 75.793

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.