MMsINC Database Search


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

MMsINC code: MMs00394989

Type: Neutral
Formula: C₁₉H₂₀FN₃O₂

SMILES:

Fc1ccccc1NC(=O)N1CCC(NC(=O)c2ccccc2)CC1

InChI:

InChI=1/C19H20FN3O2/c20-16-8-4-5-9-17(16)22-19(25)23-12-10-15(11-13-23)21-18(24)14-6-2-1-3-7-14/h1-9,15H,10-13H2,(H,21,24)(H,22,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.5608 kcal/mol

Physical Properties
Molecular Weight: 341.386 g/mol	logS: -4.11003	SlogP: 3.252	Reactive groups: 0

Topological Properties
Globularity: 0.0527225	Sterimol/B1: 3.23025	Sterimol/B2: 3.73827	Sterimol/B3: 4.90922
Sterimol/B4: 4.95185	Sterimol/L: 19.8199

Surface and Volume Properties
Accessible surface: 595.671	Positive charged surface: 362.154	Negative charged surface: 233.517	Volume: 322.625
Hydrophobic surface: 529.036	Hydrophilic surface: 66.635

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.