MMsINC Database Search


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MMsINC code: MMs01930864

Type: Neutral
Formula: C₁₆H₁₁ClFN₃O₃

SMILES:

Clc1cc(NC(=O)CN2C(=O)c3c(NC2=O)cccc3)ccc1F

InChI:

InChI=1/C16H11ClFN3O3/c17-11-7-9(5-6-12(11)18)19-14(22)8-21-15(23)10-3-1-2-4-13(10)20-16(21)24/h1-7H,8H2,(H,19,22)(H,20,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=46.9435 kcal/mol

Physical Properties
Molecular Weight: 347.733 g/mol	logS: -4.85761	SlogP: 3.1055	Reactive groups: 0

Topological Properties
Globularity: 0.106565	Sterimol/B1: 2.2673	Sterimol/B2: 2.89422	Sterimol/B3: 4.76298
Sterimol/B4: 5.79684	Sterimol/L: 17.092

Surface and Volume Properties
Accessible surface: 543.043	Positive charged surface: 258.346	Negative charged surface: 284.697	Volume: 286.125
Hydrophobic surface: 409.907	Hydrophilic surface: 133.136

Pharmacophoric Properties
Hydrogen bond donors: 2	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: no related molecules available.