MMsINC Database Search


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MMsINC code: MMs01014855

Type: Neutral
Formula: C₁₉H₁₆ClF₂N₃O

SMILES:

Clc1cc(NC(=O)NCc2n(ccc2)Cc2ccc(F)cc2)ccc1F

InChI:

InChI=1/C19H16ClF2N3O/c20-17-10-15(7-8-18(17)22)24-19(26)23-11-16-2-1-9-25(16)12-13-3-5-14(21)6-4-13/h1-10H,11-12H2,(H2,23,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=43.6545 kcal/mol

Physical Properties
Molecular Weight: 375.806 g/mol	logS: -4.77839	SlogP: 5.3225	Reactive groups: 0

Topological Properties
Globularity: 0.105219	Sterimol/B1: 2.83269	Sterimol/B2: 3.07426	Sterimol/B3: 5.0066
Sterimol/B4: 8.12212	Sterimol/L: 15.7764

Surface and Volume Properties
Accessible surface: 589.934	Positive charged surface: 277.634	Negative charged surface: 312.3	Volume: 330.75
Hydrophobic surface: 508.877	Hydrophilic surface: 81.057

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.