MMsINC Database Search


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MMsINC code: MMs01547303

Type: Neutral
Formula: C₁₅H₁₂ClFN₂O₃

SMILES:

Clc1cc(F)c(NC(=O)COc2ccccc2C(=O)N)cc1

InChI:

InChI=1/C15H12ClFN2O3/c16-9-5-6-12(11(17)7-9)19-14(20)8-22-13-4-2-1-3-10(13)15(18)21/h1-7H,8H2,(H2,18,21)(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.0922 kcal/mol

Physical Properties
Molecular Weight: 322.723 g/mol	logS: -4.71308	SlogP: 2.5955	Reactive groups: 0

Topological Properties
Globularity: 0.0134047	Sterimol/B1: 2.66677	Sterimol/B2: 2.71157	Sterimol/B3: 3.44703
Sterimol/B4: 6.37706	Sterimol/L: 17.2765

Surface and Volume Properties
Accessible surface: 540.206	Positive charged surface: 274.664	Negative charged surface: 265.541	Volume: 271.5
Hydrophobic surface: 400.898	Hydrophilic surface: 139.308

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.