MMsINC Database Search


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MMsINC code: MMs03444763

Type: Neutral
Formula: C₁₇H₁₁Cl₂F₃N₂

SMILES:

Clc1cc(cc(Cl)c1-n1ncc(c1)-c1cc(ccc1)C(F)(F)F)C

InChI:

InChI=1/C17H11Cl2F3N2/c1-10-5-14(18)16(15(19)6-10)24-9-12(8-23-24)11-3-2-4-13(7-11)17(20,21)22/h2-9H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.8733 kcal/mol

Physical Properties
Molecular Weight: 371.189 g/mol	logS: -6.96422	SlogP: 6.48482	Reactive groups: 0

Topological Properties
Globularity: 0.0256918	Sterimol/B1: 3.35313	Sterimol/B2: 3.76452	Sterimol/B3: 4.18513
Sterimol/B4: 5.08205	Sterimol/L: 17.345

Surface and Volume Properties
Accessible surface: 563.81	Positive charged surface: 206.422	Negative charged surface: 357.388	Volume: 301.125
Hydrophobic surface: 442.818	Hydrophilic surface: 120.992

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.