MMsINC Database Search


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MMsINC code: MMs03899884

Type: Neutral
Formula: C₁₇H₁₄FN₃O₃

SMILES:

Fc1ccc(NC(=O)CCN2C(=O)c3c(NC2=O)cccc3)cc1

InChI:

InChI=1/C17H14FN3O3/c18-11-5-7-12(8-6-11)19-15(22)9-10-21-16(23)13-3-1-2-4-14(13)20-17(21)24/h1-8H,9-10H2,(H,19,22)(H,20,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=35.0262 kcal/mol

Physical Properties
Molecular Weight: 327.315 g/mol	logS: -4.00524	SlogP: 2.8422	Reactive groups: 0

Topological Properties
Globularity: 0.0403821	Sterimol/B1: 2.57388	Sterimol/B2: 2.77636	Sterimol/B3: 4.11944
Sterimol/B4: 5.30435	Sterimol/L: 18.8412

Surface and Volume Properties
Accessible surface: 553.098	Positive charged surface: 304.896	Negative charged surface: 248.202	Volume: 289.75
Hydrophobic surface: 419.204	Hydrophilic surface: 133.894

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.