MMsINC Database Search


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MMsINC code: MMs01503801

Type: Neutral
Formula: C₁₈H₁₉FN₂O₂

SMILES:

Fc1ccc(cc1)CNC(=O)CC(NC(=O)C)c1ccccc1

InChI:

InChI=1/C18H19FN2O2/c1-13(22)21-17(15-5-3-2-4-6-15)11-18(23)20-12-14-7-9-16(19)10-8-14/h2-10,17H,11-12H2,1H3,(H,20,23)(H,21,22)/t17-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=37.6835 kcal/mol

Physical Properties
Molecular Weight: 314.36 g/mol	logS: -3.65574	SlogP: 3.0713	Reactive groups: 0

Topological Properties
Globularity: 0.0847633	Sterimol/B1: 2.10674	Sterimol/B2: 3.62997	Sterimol/B3: 4.03783
Sterimol/B4: 8.32973	Sterimol/L: 16.7351

Surface and Volume Properties
Accessible surface: 591.665	Positive charged surface: 345.354	Negative charged surface: 246.311	Volume: 304.125
Hydrophobic surface: 511.571	Hydrophilic surface: 80.094

Pharmacophoric Properties
Hydrogen bond donors: 2	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.