MMsINC Database Search


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MMsINC code: MMs02520558

Type: Neutral
Formula: C₁₇H₂₃FN₂O₂

SMILES:

Fc1ccc(cc1)CNC(=O)C1CC(=O)N(C1)CCC(C)C

InChI:

InChI=1/C17H23FN2O2/c1-12(2)7-8-20-11-14(9-16(20)21)17(22)19-10-13-3-5-15(18)6-4-13/h3-6,12,14H,7-11H2,1-2H3,(H,19,22)/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=23.2067 kcal/mol

Physical Properties
Molecular Weight: 306.381 g/mol	logS: -3.23923	SlogP: 2.6029	Reactive groups: 0

Topological Properties
Globularity: 0.0561857	Sterimol/B1: 2.79854	Sterimol/B2: 2.91094	Sterimol/B3: 4.55991
Sterimol/B4: 5.53692	Sterimol/L: 18.9024

Surface and Volume Properties
Accessible surface: 588.491	Positive charged surface: 382.715	Negative charged surface: 205.776	Volume: 304.875
Hydrophobic surface: 464.402	Hydrophilic surface: 124.089

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

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Ions/Tautomers related molecules: no related molecules available.