MMsINC Database Search


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MMsINC code: MMs01270829

Type: Neutral
Formula: C₁₇H₁₄Cl₂FNO₃

SMILES:

Clc1cc(NC(=O)COc2ccc(F)cc2C(=O)CC)cc(Cl)c1

InChI:

InChI=1/C17H14Cl2FNO3/c1-2-15(22)14-8-12(20)3-4-16(14)24-9-17(23)21-13-6-10(18)5-11(19)7-13/h3-8H,2,9H2,1H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.8794 kcal/mol

Physical Properties
Molecular Weight: 370.207 g/mol	logS: -5.70929	SlogP: 4.7427	Reactive groups: 0

Topological Properties
Globularity: 0.0195516	Sterimol/B1: 2.08592	Sterimol/B2: 3.1867	Sterimol/B3: 3.51269
Sterimol/B4: 9.10246	Sterimol/L: 16.9037

Surface and Volume Properties
Accessible surface: 601.123	Positive charged surface: 283.68	Negative charged surface: 317.443	Volume: 313.25
Hydrophobic surface: 509.15	Hydrophilic surface: 91.973

Pharmacophoric Properties
Hydrogen bond donors: 1	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.