MMsINC Database Search


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MMsINC code: MMs01547181

Type: Neutral
Formula: C₁₅H₁₂ClFN₂O₃

SMILES:

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

InChI:

InChI=1/C15H12ClFN2O3/c16-9-5-6-11(17)12(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)=91.9388 kcal/mol

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

Topological Properties
Globularity: 0.0142699	Sterimol/B1: 2.75708	Sterimol/B2: 3.00671	Sterimol/B3: 3.44485
Sterimol/B4: 6.36882	Sterimol/L: 16.1297

Surface and Volume Properties
Accessible surface: 540.14	Positive charged surface: 273.986	Negative charged surface: 266.154	Volume: 271.875
Hydrophobic surface: 400.832	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.