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MMsINC code: MMs01352166

Type: Neutral
Formula: C₁₇H₁₈ClFN₂O

SMILES:

Clc1cccc(F)c1C(=O)NCC(N(C)C)c1ccccc1

InChI:

InChI=1/C17H18ClFN2O/c1-21(2)15(12-7-4-3-5-8-12)11-20-17(22)16-13(18)9-6-10-14(16)19/h3-10,15H,11H2,1-2H3,(H,20,22)/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.6924 kcal/mol

Physical Properties
Molecular Weight: 320.795 g/mol	logS: -4.22607	SlogP: 3.6073	Reactive groups: 0

Topological Properties
Globularity: 0.114947	Sterimol/B1: 2.50102	Sterimol/B2: 3.71392	Sterimol/B3: 4.68022
Sterimol/B4: 6.9663	Sterimol/L: 16.3856

Surface and Volume Properties
Accessible surface: 552.809	Positive charged surface: 314.79	Negative charged surface: 238.019	Volume: 299.125
Hydrophobic surface: 517.045	Hydrophilic surface: 35.764

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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

MMs01352167
ENAMINE-ZINC03289084