MMsINC Database Search


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MMsINC code: MMs02980128

Type: Neutral
Formula: C₁₈H₁₇FN₂O₃

SMILES:

Fc1cc2c(Oc3nc(C)c(cc3C2=O)C(=O)N(CC)CC)cc1

InChI:

InChI=1/C18H17FN2O3/c1-4-21(5-2)18(23)12-9-14-16(22)13-8-11(19)6-7-15(13)24-17(14)20-10(12)3/h6-9H,4-5H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.6285 kcal/mol

Physical Properties
Molecular Weight: 328.343 g/mol	logS: -4.36269	SlogP: 3.34782	Reactive groups: 0

Topological Properties
Globularity: 0.0874221	Sterimol/B1: 2.46686	Sterimol/B2: 2.68526	Sterimol/B3: 5.52877
Sterimol/B4: 6.9776	Sterimol/L: 16.1315

Surface and Volume Properties
Accessible surface: 550.927	Positive charged surface: 327.243	Negative charged surface: 223.684	Volume: 300.5
Hydrophobic surface: 423.589	Hydrophilic surface: 127.338

Pharmacophoric Properties
Hydrogen bond donors: 0	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.