MMsINC Database Search


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MMsINC code: MMs02216054

Type: Neutral
Formula: C₁₄H₁₁Cl₂FN₂O

SMILES:

Clc1cc(C)c(NC(=O)Nc2cc(F)ccc2)cc1Cl

InChI:

InChI=1/C14H11Cl2FN2O/c1-8-5-11(15)12(16)7-13(8)19-14(20)18-10-4-2-3-9(17)6-10/h2-7H,1H3,(H2,18,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.709 kcal/mol

Physical Properties
Molecular Weight: 313.159 g/mol	logS: -5.17608	SlogP: 5.08492	Reactive groups: 0

Topological Properties
Globularity: 0.045973	Sterimol/B1: 2.09115	Sterimol/B2: 2.71188	Sterimol/B3: 3.62316
Sterimol/B4: 7.8364	Sterimol/L: 15.441

Surface and Volume Properties
Accessible surface: 508.843	Positive charged surface: 219.944	Negative charged surface: 288.899	Volume: 259.5
Hydrophobic surface: 460.564	Hydrophilic surface: 48.279

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.