MMsINC Database Search


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MMsINC code: MMs00959708

Type: Neutral
Formula: C₂₂H₁₆ClFN₂O₂

SMILES:

Clc1cc(F)ccc1CN1c2c(cccc2)C(=O)N(Cc2ccccc2)C1=O

InChI:

InChI=1/C22H16ClFN2O2/c23-19-12-17(24)11-10-16(19)14-25-20-9-5-4-8-18(20)21(27)26(22(25)28)13-15-6-2-1-3-7-15/h1-12H,13-14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.2315 kcal/mol

Physical Properties
Molecular Weight: 394.833 g/mol	logS: -6.29099	SlogP: 5.7945	Reactive groups: 0

Topological Properties
Globularity: 0.117923	Sterimol/B1: 2.61271	Sterimol/B2: 4.72697	Sterimol/B3: 4.94693
Sterimol/B4: 8.01297	Sterimol/L: 14.9276

Surface and Volume Properties
Accessible surface: 585.862	Positive charged surface: 308.454	Negative charged surface: 277.408	Volume: 348.625
Hydrophobic surface: 534.936	Hydrophilic surface: 50.926

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.