MMsINC Database Search


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MMsINC code: MMs01038246

Type: Neutral
Formula: C₁₉H₁₉FN₄O₂

SMILES:

Fc1ccc(NC(=O)N2CCC(Nc3oc4c(n3)cccc4)CC2)cc1

InChI:

InChI=1/C19H19FN4O2/c20-13-5-7-14(8-6-13)22-19(25)24-11-9-15(10-12-24)21-18-23-16-3-1-2-4-17(16)26-18/h1-8,15H,9-12H2,(H,21,23)(H,22,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=34.7488 kcal/mol

Physical Properties
Molecular Weight: 354.385 g/mol	logS: -4.99211	SlogP: 4.0753	Reactive groups: 0

Topological Properties
Globularity: 0.0390347	Sterimol/B1: 2.89697	Sterimol/B2: 3.42763	Sterimol/B3: 4.5453
Sterimol/B4: 5.40554	Sterimol/L: 20.488

Surface and Volume Properties
Accessible surface: 616.326	Positive charged surface: 385.054	Negative charged surface: 231.272	Volume: 326
Hydrophobic surface: 518.847	Hydrophilic surface: 97.479

Pharmacophoric Properties
Hydrogen bond donors: 2	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.