MMsINC Database Search


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MMsINC code: MMs00429139

Type: Neutral
Formula: C₁₈H₁₆FN₃O₃

SMILES:

Fc1cc(NC(=O)CN2c3c(cccc3)C(=O)N(C)C2=O)c(cc1)C

InChI:

InChI=1/C18H16FN3O3/c1-11-7-8-12(19)9-14(11)20-16(23)10-22-15-6-4-3-5-13(15)17(24)21(2)18(22)25/h3-9H,10H2,1-2H3,(H,20,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.889 kcal/mol

Physical Properties
Molecular Weight: 341.342 g/mol	logS: -4.1778	SlogP: 2.78482	Reactive groups: 0

Topological Properties
Globularity: 0.119074	Sterimol/B1: 2.61332	Sterimol/B2: 4.31702	Sterimol/B3: 5.45325
Sterimol/B4: 6.53098	Sterimol/L: 14.6858

Surface and Volume Properties
Accessible surface: 565.085	Positive charged surface: 335.714	Negative charged surface: 229.371	Volume: 306.125
Hydrophobic surface: 469.152	Hydrophilic surface: 95.933

Pharmacophoric Properties
Hydrogen bond donors: 1	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.