MMsINC Database Search


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MMsINC code: MMs01699280

Type: Neutral
Formula: C₁₆H₁₃ClFNO₂

SMILES:

Clc1cccc(F)c1CC(=O)Nc1ccccc1C(=O)C

InChI:

InChI=1/C16H13ClFNO2/c1-10(20)11-5-2-3-8-15(11)19-16(21)9-12-13(17)6-4-7-14(12)18/h2-8H,9H2,1H3,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.8493 kcal/mol

Physical Properties
Molecular Weight: 305.736 g/mol	logS: -4.75788	SlogP: 3.86287	Reactive groups: 0

Topological Properties
Globularity: 0.0719049	Sterimol/B1: 2.33434	Sterimol/B2: 3.61648	Sterimol/B3: 4.64237
Sterimol/B4: 7.21256	Sterimol/L: 14.722

Surface and Volume Properties
Accessible surface: 520.65	Positive charged surface: 253.065	Negative charged surface: 267.585	Volume: 270.875
Hydrophobic surface: 462.84	Hydrophilic surface: 57.81

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.