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MMsINC code: MMs02644518

Type: Neutral
Formula: C₁₇H₁₈ClFN₂

SMILES:

Clc1cc(ccc1)CN1CCN(CC1)c1ccccc1F

InChI:

InChI=1/C17H18ClFN2/c18-15-5-3-4-14(12-15)13-20-8-10-21(11-9-20)17-7-2-1-6-16(17)19/h1-7,12H,8-11,13H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=133.544 kcal/mol

Physical Properties
Molecular Weight: 304.796 g/mol	logS: -4.15619	SlogP: 4.0677	Reactive groups: 0

Topological Properties
Globularity: 0.118654	Sterimol/B1: 2.51438	Sterimol/B2: 3.08579	Sterimol/B3: 5.50857
Sterimol/B4: 5.65179	Sterimol/L: 15.4801

Surface and Volume Properties
Accessible surface: 540.893	Positive charged surface: 308.846	Negative charged surface: 232.048	Volume: 291.75
Hydrophobic surface: 522.86	Hydrophilic surface: 18.033

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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

MMs02644519
PUBCHEM-ZINC00240249