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MMsINC code: MMs00703525

Type: Neutral
Formula: C₁₇H₁₉ClFNO₂

SMILES:

Clc1cccc(F)c1CNCCc1cc(OC)c(OC)cc1

InChI:

InChI=1/C17H19ClFNO2/c1-21-16-7-6-12(10-17(16)22-2)8-9-20-11-13-14(18)4-3-5-15(13)19/h3-7,10,20H,8-9,11H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.6175 kcal/mol

Physical Properties
Molecular Weight: 323.795 g/mol	logS: -4.08478	SlogP: 4.09497	Reactive groups: 0

Topological Properties
Globularity: 0.0289222	Sterimol/B1: 2.34965	Sterimol/B2: 2.60473	Sterimol/B3: 3.70944
Sterimol/B4: 7.27564	Sterimol/L: 18.3262

Surface and Volume Properties
Accessible surface: 596.637	Positive charged surface: 386.806	Negative charged surface: 209.832	Volume: 303.25
Hydrophobic surface: 560.618	Hydrophilic surface: 36.019

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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

MMs00703526
CHEMBRIDGE-ZINC02178119