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MMsINC code: MMs02649453

Type: Neutral
Formula: C₁₇H₁₈ClFN₂

SMILES:

Clc1cccc(F)c1CN1CCN(CC1)c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=129.191 kcal/mol

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

Topological Properties
Globularity: 0.0918113	Sterimol/B1: 3.22817	Sterimol/B2: 3.41266	Sterimol/B3: 4.26929
Sterimol/B4: 5.15278	Sterimol/L: 15.4699

Surface and Volume Properties
Accessible surface: 525.63	Positive charged surface: 301.857	Negative charged surface: 223.773	Volume: 287.25
Hydrophobic surface: 506.218	Hydrophilic surface: 19.412

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

MMs02649454
PUBCHEM-ZINC00278608