MMsINC Database Search


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MMsINC code: MMs02799177

Type: Neutral
Formula: C₂₀H₂₂FN₃O₂

SMILES:

Fc1ccccc1C(=O)Nc1cnc(NC(=O)C2CCCCC2)cc1C

InChI:

InChI=1/C20H22FN3O2/c1-13-11-18(24-19(25)14-7-3-2-4-8-14)22-12-17(13)23-20(26)15-9-5-6-10-16(15)21/h5-6,9-12,14H,2-4,7-8H2,1H3,(H,23,26)(H,22,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.4074 kcal/mol

Physical Properties
Molecular Weight: 355.413 g/mol	logS: -4.92005	SlogP: 4.30022	Reactive groups: 0

Topological Properties
Globularity: 0.0209686	Sterimol/B1: 2.183	Sterimol/B2: 2.90366	Sterimol/B3: 3.32179
Sterimol/B4: 7.62814	Sterimol/L: 20.3166

Surface and Volume Properties
Accessible surface: 626.531	Positive charged surface: 413.38	Negative charged surface: 213.151	Volume: 338.25
Hydrophobic surface: 548.032	Hydrophilic surface: 78.499

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.