MMsINC Database Search


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MMsINC code: MMs01463804

Type: Neutral
Formula: C₁₉H₁₆FN₃O₂

SMILES:

Fc1ccc(NC(=O)CN(C(=O)c2nc3c(cc2)cccc3)C)cc1

InChI:

InChI=1/C19H16FN3O2/c1-23(12-18(24)21-15-9-7-14(20)8-10-15)19(25)17-11-6-13-4-2-3-5-16(13)22-17/h2-11H,12H2,1H3,(H,21,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.257 kcal/mol

Physical Properties
Molecular Weight: 337.354 g/mol	logS: -4.45789	SlogP: 3.0846	Reactive groups: 0

Topological Properties
Globularity: 0.0641806	Sterimol/B1: 2.19991	Sterimol/B2: 3.35244	Sterimol/B3: 4.07081
Sterimol/B4: 6.1065	Sterimol/L: 18.3641

Surface and Volume Properties
Accessible surface: 578.988	Positive charged surface: 334.012	Negative charged surface: 239.997	Volume: 310.875
Hydrophobic surface: 492.523	Hydrophilic surface: 86.465

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.