MMsINC Database Search


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MMsINC code: MMs01125312

Type: Neutral
Formula: C₂₁H₁₄ClFN₂O₂

SMILES:

Clc1cccc(F)c1-c1noc(C)c1C(=O)Nc1c2c(ccc1)cccc2

InChI:

InChI=1/C21H14ClFN2O2/c1-12-18(20(25-27-12)19-15(22)9-5-10-16(19)23)21(26)24-17-11-4-7-13-6-2-3-8-14(13)17/h2-11H,1H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.68 kcal/mol

Physical Properties
Molecular Weight: 380.806 g/mol	logS: -7.61694	SlogP: 5.84802	Reactive groups: 0

Topological Properties
Globularity: 0.198863	Sterimol/B1: 2.1361	Sterimol/B2: 3.28134	Sterimol/B3: 5.31019
Sterimol/B4: 10.0626	Sterimol/L: 13.3179

Surface and Volume Properties
Accessible surface: 589.753	Positive charged surface: 261.215	Negative charged surface: 317.359	Volume: 335.25
Hydrophobic surface: 548.237	Hydrophilic surface: 41.516

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.