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MMsINC code: MMs00979731

Type: Ionized
Formula: C₂₀H₁₅ClFN₂O₂-

SMILES:

Clc1cc(Nc2c3CCCCc3nc3c2ccc(c3)C(=O)[O-])ccc1F

InChI:

InChI=1/C20H16ClFN2O2/c21-15-10-12(6-8-16(15)22)23-19-13-3-1-2-4-17(13)24-18-9-11(20(25)26)5-7-14(18)19/h5-10H,1-4H2,(H,23,24)(H,25,26)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.8506 kcal/mol

Physical Properties
Molecular Weight: 369.803 g/mol	logS: -5.94167	SlogP: 4.01314	Reactive groups: 0

Topological Properties
Globularity: 0.149067	Sterimol/B1: 3.18348	Sterimol/B2: 3.44845	Sterimol/B3: 5.91734
Sterimol/B4: 9.77097	Sterimol/L: 14.4848

Surface and Volume Properties
Accessible surface: 582.053	Positive charged surface: 291.35	Negative charged surface: 287.66	Volume: 327.5
Hydrophobic surface: 462.483	Hydrophilic surface: 119.57

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

search links for this molecule:

Parent related molecule:

MMs00979730
CHEMDIV-ZINC05025972