MMsINC Database Search


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MMsINC code: MMs00642676

Type: Neutral
Formula: C₁₉H₁₆ClFN₂O₂

SMILES:

Clc1cccc(F)c1-c1noc(C)c1C(=O)NCCc1ccccc1

InChI:

InChI=1/C19H16ClFN2O2/c1-12-16(19(24)22-11-10-13-6-3-2-4-7-13)18(23-25-12)17-14(20)8-5-9-15(17)21/h2-9H,10-11H2,1H3,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.0495 kcal/mol

Physical Properties
Molecular Weight: 358.8 g/mol	logS: -5.74457	SlogP: 4.41499	Reactive groups: 0

Topological Properties
Globularity: 0.0744527	Sterimol/B1: 2.25159	Sterimol/B2: 3.49281	Sterimol/B3: 4.6999
Sterimol/B4: 10.2813	Sterimol/L: 15.2509

Surface and Volume Properties
Accessible surface: 606.991	Positive charged surface: 302.638	Negative charged surface: 304.353	Volume: 325
Hydrophobic surface: 556.85	Hydrophilic surface: 50.141

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.