MMsINC Database Search


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MMsINC code: MMs01371980

Type: Neutral
Formula: C₂₁H₁₆ClFN₂O₄

SMILES:

Clc1ccc(nc1)NC(=O)COC(=O)c1ccccc1OCc1ccc(F)cc1

InChI:

InChI=1/C21H16ClFN2O4/c22-15-7-10-19(24-11-15)25-20(26)13-29-21(27)17-3-1-2-4-18(17)28-12-14-5-8-16(23)9-6-14/h1-11H,12-13H2,(H,24,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.786 kcal/mol

Physical Properties
Molecular Weight: 414.82 g/mol	logS: -5.66371	SlogP: 4.515	Reactive groups: 0

Topological Properties
Globularity: 0.024958	Sterimol/B1: 2.45387	Sterimol/B2: 3.60593	Sterimol/B3: 3.63779
Sterimol/B4: 10.5074	Sterimol/L: 19.9626

Surface and Volume Properties
Accessible surface: 690.833	Positive charged surface: 369.251	Negative charged surface: 321.582	Volume: 361.25
Hydrophobic surface: 595.686	Hydrophilic surface: 95.147

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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: no related molecules available.