MMsINC Database Search


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MMsINC code: MMs00108596

Type: Neutral
Formula: C₁₉H₂₁FN₂O

SMILES:

Fc1cc(ccc1)CN1CCN(CC1)C(=O)Cc1ccccc1

InChI:

InChI=1/C19H21FN2O/c20-18-8-4-7-17(13-18)15-21-9-11-22(12-10-21)19(23)14-16-5-2-1-3-6-16/h1-8,13H,9-12,14-15H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.1528 kcal/mol

Physical Properties
Molecular Weight: 312.388 g/mol	logS: -3.5961	SlogP: 2.97897	Reactive groups: 0

Topological Properties
Globularity: 0.0696991	Sterimol/B1: 3.56843	Sterimol/B2: 3.94903	Sterimol/B3: 4.34455
Sterimol/B4: 5.05447	Sterimol/L: 17.717

Surface and Volume Properties
Accessible surface: 577.632	Positive charged surface: 373.104	Negative charged surface: 204.528	Volume: 310.625
Hydrophobic surface: 544.153	Hydrophilic surface: 33.479

Pharmacophoric Properties
Hydrogen bond donors: 0	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

MMs00108597
ASINEX-ZINC00285189