MMsINC Database Search


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MMsINC code: MMs01243956

Type: Neutral
Formula: C₁₄H₉Cl₂F₃N₂O

SMILES:

Clc1cc(Cl)ccc1NC(=O)Nc1cc(ccc1)C(F)(F)F

InChI:

InChI=1/C14H9Cl2F3N2O/c15-9-4-5-12(11(16)7-9)21-13(22)20-10-3-1-2-8(6-10)14(17,18)19/h1-7H,(H2,20,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.8608 kcal/mol

Physical Properties
Molecular Weight: 349.139 g/mol	logS: -5.77718	SlogP: 5.9677	Reactive groups: 0

Topological Properties
Globularity: 0.053116	Sterimol/B1: 2.40129	Sterimol/B2: 3.03301	Sterimol/B3: 4.52432
Sterimol/B4: 5.82968	Sterimol/L: 15.4328

Surface and Volume Properties
Accessible surface: 524.792	Positive charged surface: 176.486	Negative charged surface: 348.306	Volume: 267.375
Hydrophobic surface: 372.375	Hydrophilic surface: 152.417

Pharmacophoric Properties
Hydrogen bond donors: 2	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.