MMsINC Database Search


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MMsINC code: MMs00598460

Type: Neutral
Formula: C₁₄H₁₁ClFNO₂

SMILES:

Clc1cc(NC(=O)c2ccc(F)cc2)c(OC)cc1

InChI:

InChI=1/C14H11ClFNO2/c1-19-13-7-4-10(15)8-12(13)17-14(18)9-2-5-11(16)6-3-9/h2-8H,1H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.2594 kcal/mol

Physical Properties
Molecular Weight: 279.698 g/mol	logS: -4.43452	SlogP: 3.74	Reactive groups: 0

Topological Properties
Globularity: 0.0179304	Sterimol/B1: 2.36877	Sterimol/B2: 2.52044	Sterimol/B3: 2.89737
Sterimol/B4: 8.62382	Sterimol/L: 14.2002

Surface and Volume Properties
Accessible surface: 489.911	Positive charged surface: 250.786	Negative charged surface: 239.125	Volume: 242.25
Hydrophobic surface: 451.26	Hydrophilic surface: 38.651

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.