MMsINC Database Search


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MMsINC code: MMs00908516

Type: Neutral
Formula: C₂₂H₁₅Cl₂FN₂O

SMILES:

Clc1cccc(F)c1CN1c2c(cc(Cl)cc2)C(=NCC1=O)c1ccccc1

InChI:

InChI=1/C22H15Cl2FN2O/c23-15-9-10-20-16(11-15)22(14-5-2-1-3-6-14)26-12-21(28)27(20)13-17-18(24)7-4-8-19(17)25/h1-11H,12-13H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=145.309 kcal/mol

Physical Properties
Molecular Weight: 413.279 g/mol	logS: -7.32886	SlogP: 5.7831	Reactive groups: 0

Topological Properties
Globularity: 0.431485	Sterimol/B1: 3.78338	Sterimol/B2: 4.13565	Sterimol/B3: 5.97188
Sterimol/B4: 7.97945	Sterimol/L: 12.3261

Surface and Volume Properties
Accessible surface: 591.957	Positive charged surface: 286.882	Negative charged surface: 305.075	Volume: 358.625
Hydrophobic surface: 557.445	Hydrophilic surface: 34.512

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.