MMsINC Database Search


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

MMsINC code: MMs01050039

Type: Neutral
Formula: C₂₀H₂₁FN₂O₂

SMILES:

Fc1ccc(cc1)CNC(=O)C(N1Cc2c(cccc2)C1=O)C(C)C

InChI:

InChI=1/C20H21FN2O2/c1-13(2)18(19(24)22-11-14-7-9-16(21)10-8-14)23-12-15-5-3-4-6-17(15)20(23)25/h3-10,13,18H,11-12H2,1-2H3,(H,22,24)/t18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.206 kcal/mol

Physical Properties
Molecular Weight: 340.398 g/mol	logS: -4.51362	SlogP: 3.6553	Reactive groups: 0

Topological Properties
Globularity: 0.0851197	Sterimol/B1: 2.85457	Sterimol/B2: 3.44093	Sterimol/B3: 4.24145
Sterimol/B4: 6.58594	Sterimol/L: 18.0814

Surface and Volume Properties
Accessible surface: 599.56	Positive charged surface: 346.422	Negative charged surface: 253.138	Volume: 329.875
Hydrophobic surface: 506.079	Hydrophilic surface: 93.481

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.