MMsINC Database Search


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

MMsINC code: MMs00711647

Type: Neutral
Formula: C₁₆H₂₁FN₂O₂

SMILES:

Fc1ccc(cc1)CCNC(=O)C(=O)NC1CCCCC1

InChI:

InChI=1/C16H21FN2O2/c17-13-8-6-12(7-9-13)10-11-18-15(20)16(21)19-14-4-2-1-3-5-14/h6-9,14H,1-5,10-11H2,(H,18,20)(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=46.3221 kcal/mol

Physical Properties
Molecular Weight: 292.354 g/mol	logS: -3.53117	SlogP: 1.93327	Reactive groups: 0

Topological Properties
Globularity: 0.0321842	Sterimol/B1: 2.62305	Sterimol/B2: 2.77444	Sterimol/B3: 3.70314
Sterimol/B4: 4.99301	Sterimol/L: 19.2536

Surface and Volume Properties
Accessible surface: 561.974	Positive charged surface: 369.609	Negative charged surface: 192.365	Volume: 285.125
Hydrophobic surface: 464.776	Hydrophilic surface: 97.198

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.