MMsINC Database Search


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MMsINC code: MMs01633963

Type: Neutral
Formula: C₂₃H₂₂FN₃O₂

SMILES:

Fc1ccccc1NC(=O)CNc1ccccc1C(=O)NCCc1ccccc1

InChI:

InChI=1/C23H22FN3O2/c24-19-11-5-7-13-21(19)27-22(28)16-26-20-12-6-4-10-18(20)23(29)25-15-14-17-8-2-1-3-9-17/h1-13,26H,14-16H2,(H,25,29)(H,27,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=123.235 kcal/mol

Physical Properties
Molecular Weight: 391.446 g/mol	logS: -5.44825	SlogP: 3.84877	Reactive groups: 0

Topological Properties
Globularity: 0.0329211	Sterimol/B1: 2.89846	Sterimol/B2: 3.60983	Sterimol/B3: 3.61352
Sterimol/B4: 11.0098	Sterimol/L: 18.5422

Surface and Volume Properties
Accessible surface: 703.717	Positive charged surface: 410.062	Negative charged surface: 293.654	Volume: 377.375
Hydrophobic surface: 619.971	Hydrophilic surface: 83.746

Pharmacophoric Properties
Hydrogen bond donors: 3	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.