MMsINC Database Search


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MMsINC code: MMs02011278

Type: Neutral
Formula: C₁₉H₁₇FN₂O₂

SMILES:

Fc1ccc(cc1)CNC(=O)C(=O)c1c2c(n(C)c1C)cccc2

InChI:

InChI=1/C19H17FN2O2/c1-12-17(15-5-3-4-6-16(15)22(12)2)18(23)19(24)21-11-13-7-9-14(20)10-8-13/h3-10H,11H2,1-2H3,(H,21,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.1272 kcal/mol

Physical Properties
Molecular Weight: 324.355 g/mol	logS: -4.42254	SlogP: 3.75052	Reactive groups: 0

Topological Properties
Globularity: 0.0307381	Sterimol/B1: 2.0954	Sterimol/B2: 3.31064	Sterimol/B3: 3.62717
Sterimol/B4: 8.53085	Sterimol/L: 17.0531

Surface and Volume Properties
Accessible surface: 592.199	Positive charged surface: 326.741	Negative charged surface: 261.305	Volume: 308.75
Hydrophobic surface: 511.296	Hydrophilic surface: 80.903

Pharmacophoric Properties
Hydrogen bond donors: 1	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

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Ions/Tautomers related molecules: no related molecules available.