MMsINC Database Search


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MMsINC code: MMs00194538

Type: Neutral
Formula: C₁₇H₁₁Cl₂FN₂O₂

SMILES:

Clc1cccc(Cl)c1-c1noc(C)c1C(=O)Nc1cc(F)ccc1

InChI:

InChI=1/C17H11Cl2FN2O2/c1-9-14(17(23)21-11-5-2-4-10(20)8-11)16(22-24-9)15-12(18)6-3-7-13(15)19/h2-8H,1H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.396 kcal/mol

Physical Properties
Molecular Weight: 365.191 g/mol	logS: -6.47335	SlogP: 5.34822	Reactive groups: 0

Topological Properties
Globularity: 0.163075	Sterimol/B1: 2.40217	Sterimol/B2: 4.17475	Sterimol/B3: 4.80102
Sterimol/B4: 9.73174	Sterimol/L: 12.7585

Surface and Volume Properties
Accessible surface: 546.14	Positive charged surface: 221.797	Negative charged surface: 324.343	Volume: 303
Hydrophobic surface: 506.23	Hydrophilic surface: 39.91

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.