MMsINC Database Search


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MMsINC code: MMs01547183

Type: Neutral
Formula: C₁₆H₁₅FN₂O₃

SMILES:

Fc1ccc(cc1)CNC(=O)COc1ccccc1C(=O)N

InChI:

InChI=1/C16H15FN2O3/c17-12-7-5-11(6-8-12)9-19-15(20)10-22-14-4-2-1-3-13(14)16(18)21/h1-8H,9-10H2,(H2,18,21)(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.5028 kcal/mol

Physical Properties
Molecular Weight: 302.305 g/mol	logS: -3.92283	SlogP: 1.8862	Reactive groups: 0

Topological Properties
Globularity: 0.0366208	Sterimol/B1: 3.15213	Sterimol/B2: 3.61768	Sterimol/B3: 3.62156
Sterimol/B4: 6.49198	Sterimol/L: 17.175

Surface and Volume Properties
Accessible surface: 550.541	Positive charged surface: 320.461	Negative charged surface: 230.08	Volume: 276.5
Hydrophobic surface: 400.644	Hydrophilic surface: 149.897

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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

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Ions/Tautomers related molecules: no related molecules available.