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MMsINC code: MMs01861628

Type: Neutral
Formula: C₁₉H₂₁FN₄O₂

SMILES:

Fc1cc(ccc1)C(=O)N1CCN(CC1)CCNC(=O)c1ncccc1

InChI:

InChI=1/C19H21FN4O2/c20-16-5-3-4-15(14-16)19(26)24-12-10-23(11-13-24)9-8-22-18(25)17-6-1-2-7-21-17/h1-7,14H,8-13H2,(H,22,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.854 kcal/mol

Physical Properties
Molecular Weight: 356.401 g/mol	logS: -2.60198	SlogP: 1.4085	Reactive groups: 0

Topological Properties
Globularity: 0.044742	Sterimol/B1: 3.3566	Sterimol/B2: 3.42924	Sterimol/B3: 3.86653
Sterimol/B4: 6.37819	Sterimol/L: 19.2381

Surface and Volume Properties
Accessible surface: 627.352	Positive charged surface: 414.814	Negative charged surface: 212.538	Volume: 334.625
Hydrophobic surface: 528.051	Hydrophilic surface: 99.301

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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

MMs01861629
IBS-ZINC02430585