MMsINC Database Search


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MMsINC code: MMs00186444

Type: Neutral
Formula: C₁₇H₁₀Cl₂F₂N₂O₂

SMILES:

Clc1cccc(F)c1-c1noc(C)c1C(=O)Nc1ccc(Cl)cc1F

InChI:

InChI=1/C17H10Cl2F2N2O2/c1-8-14(17(24)22-13-6-5-9(18)7-12(13)21)16(23-25-8)15-10(19)3-2-4-11(15)20/h2-7H,1H3,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.5885 kcal/mol

Physical Properties
Molecular Weight: 383.181 g/mol	logS: -6.76833	SlogP: 5.48732	Reactive groups: 0

Topological Properties
Globularity: 0.14638	Sterimol/B1: 2.38779	Sterimol/B2: 3.81395	Sterimol/B3: 4.02697
Sterimol/B4: 9.80811	Sterimol/L: 14.2747

Surface and Volume Properties
Accessible surface: 564.139	Positive charged surface: 211.489	Negative charged surface: 352.649	Volume: 306.75
Hydrophobic surface: 519.525	Hydrophilic surface: 44.614

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.