MMsINC Database Search


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MMsINC code: MMs00240435

Type: Neutral
Formula: C₁₉H₂₆FN₃O₂

SMILES:

Fc1cc(ccc1)C(=O)N1CCN(CC1)CC(=O)NC1CCCCC1

InChI:

InChI=1/C19H26FN3O2/c20-16-6-4-5-15(13-16)19(25)23-11-9-22(10-12-23)14-18(24)21-17-7-2-1-3-8-17/h4-6,13,17H,1-3,7-12,14H2,(H,21,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.3659 kcal/mol

Physical Properties
Molecular Weight: 347.434 g/mol	logS: -3.41044	SlogP: 2.0324	Reactive groups: 0

Topological Properties
Globularity: 0.0442295	Sterimol/B1: 2.36785	Sterimol/B2: 2.83995	Sterimol/B3: 4.44762
Sterimol/B4: 7.83559	Sterimol/L: 17.7309

Surface and Volume Properties
Accessible surface: 617.137	Positive charged surface: 442.439	Negative charged surface: 174.698	Volume: 336.875
Hydrophobic surface: 545.337	Hydrophilic surface: 71.8

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

MMs00240436
ASINEX-ZINC01342586