MMsINC Database Search


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MMsINC code: MMs01240179

Type: Neutral
Formula: C₁₅H₁₃ClFNO₂

SMILES:

Clc1cccc(NC(=O)COc2ccc(F)cc2)c1C

InChI:

InChI=1/C15H13ClFNO2/c1-10-13(16)3-2-4-14(10)18-15(19)9-20-12-7-5-11(17)6-8-12/h2-8H,9H2,1H3,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.2774 kcal/mol

Physical Properties
Molecular Weight: 293.725 g/mol	logS: -4.62143	SlogP: 3.80502	Reactive groups: 0

Topological Properties
Globularity: 0.0170904	Sterimol/B1: 2.03187	Sterimol/B2: 2.48467	Sterimol/B3: 3.08496
Sterimol/B4: 6.68999	Sterimol/L: 17.1182

Surface and Volume Properties
Accessible surface: 514.516	Positive charged surface: 253.744	Negative charged surface: 260.771	Volume: 262.25
Hydrophobic surface: 469.192	Hydrophilic surface: 45.324

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.