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MMsINC code: MMs03029954

Type: Neutral
Formula: C₁₃H₁₉FN₂O

SMILES:

Fc1ccc(cc1)C(N1CCN(CC1)C)CO

InChI:

InChI=1/C13H19FN2O/c1-15-6-8-16(9-7-15)13(10-17)11-2-4-12(14)5-3-11/h2-5,13,17H,6-10H2,1H3/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.5745 kcal/mol

Physical Properties
Molecular Weight: 238.306 g/mol	logS: -1.3955	SlogP: 1.202	Reactive groups: 0

Topological Properties
Globularity: 0.143541	Sterimol/B1: 2.73313	Sterimol/B2: 3.61378	Sterimol/B3: 3.61669
Sterimol/B4: 5.73329	Sterimol/L: 13.2218

Surface and Volume Properties
Accessible surface: 454.051	Positive charged surface: 358.024	Negative charged surface: 96.0273	Volume: 236.5
Hydrophobic surface: 411.255	Hydrophilic surface: 42.796

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs03029955
PUBCHEM-ZINC03636343