MMsINC Database Search


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MMsINC code: MMs01937652

Type: Neutral
Formula: C₁₄H₁₃FN₄O₂

SMILES:

Fc1cc2c([nH]cc2CCN2C(N)=CC(=O)NC2=O)cc1

InChI:

InChI=1/C14H13FN4O2/c15-9-1-2-11-10(5-9)8(7-17-11)3-4-19-12(16)6-13(20)18-14(19)21/h1-2,5-7,17H,3-4,16H2,(H,18,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-2.6026 kcal/mol

Physical Properties
Molecular Weight: 288.282 g/mol	logS: -2.76743	SlogP: 1.20137	Reactive groups: 0

Topological Properties
Globularity: 0.0236454	Sterimol/B1: 2.5854	Sterimol/B2: 2.97824	Sterimol/B3: 3.57079
Sterimol/B4: 5.94875	Sterimol/L: 15.0454

Surface and Volume Properties
Accessible surface: 478.861	Positive charged surface: 263.956	Negative charged surface: 210.183	Volume: 251
Hydrophobic surface: 269.151	Hydrophilic surface: 209.71

Pharmacophoric Properties
Hydrogen bond donors: 3	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.