MMsINC Database Search


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MMsINC code: MMs01502883

Type: Neutral
Formula: C₁₄H₁₀Cl₂FNO₂

SMILES:

Clc1cccc(F)c1C(=O)Nc1cc(Cl)ccc1OC

InChI:

InChI=1/C14H10Cl2FNO2/c1-20-12-6-5-8(15)7-11(12)18-14(19)13-9(16)3-2-4-10(13)17/h2-7H,1H3,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.5089 kcal/mol

Physical Properties
Molecular Weight: 314.143 g/mol	logS: -5.16881	SlogP: 4.3934	Reactive groups: 0

Topological Properties
Globularity: 0.0668812	Sterimol/B1: 2.48408	Sterimol/B2: 2.73782	Sterimol/B3: 4.78918
Sterimol/B4: 8.59288	Sterimol/L: 14.0177

Surface and Volume Properties
Accessible surface: 502.95	Positive charged surface: 231.093	Negative charged surface: 271.857	Volume: 259.875
Hydrophobic surface: 466.855	Hydrophilic surface: 36.095

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.