MMsINC Database Search


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MMsINC code: MMs02992441

Type: Neutral
Formula: C₁₄H₉ClF₄N₂O

SMILES:

Clc1cc(NC(=O)Nc2cc(ccc2)C(F)(F)F)ccc1F

InChI:

InChI=1/C14H9ClF4N2O/c15-11-7-10(4-5-12(11)16)21-13(22)20-9-3-1-2-8(6-9)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)=64.053 kcal/mol

Physical Properties
Molecular Weight: 332.684 g/mol	logS: -5.33787	SlogP: 5.4534	Reactive groups: 0

Topological Properties
Globularity: 0.0632248	Sterimol/B1: 2.88954	Sterimol/B2: 3.05129	Sterimol/B3: 4.31653
Sterimol/B4: 5.85212	Sterimol/L: 15.4231

Surface and Volume Properties
Accessible surface: 510.442	Positive charged surface: 191.535	Negative charged surface: 318.908	Volume: 257.375
Hydrophobic surface: 347.407	Hydrophilic surface: 163.035

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.