MMsINC Database Search


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MMsINC code: MMs03011922

Type: Neutral
Formula: C₁₉H₂₁FN₄O

SMILES:

Fc1ccc(cc1)CNC(=O)CN(CC)Cn1c2c(nc1)cccc2

InChI:

InChI=1/C19H21FN4O/c1-2-23(14-24-13-22-17-5-3-4-6-18(17)24)12-19(25)21-11-15-7-9-16(20)10-8-15/h3-10,13H,2,11-12,14H2,1H3,(H,21,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.6293 kcal/mol

Physical Properties
Molecular Weight: 340.402 g/mol	logS: -3.86464	SlogP: 3.304	Reactive groups: 0

Topological Properties
Globularity: 0.106175	Sterimol/B1: 2.52526	Sterimol/B2: 3.20567	Sterimol/B3: 5.6151
Sterimol/B4: 9.2358	Sterimol/L: 15.969

Surface and Volume Properties
Accessible surface: 618.587	Positive charged surface: 383.398	Negative charged surface: 235.188	Volume: 331.625
Hydrophobic surface: 519.943	Hydrophilic surface: 98.644

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.