MMsINC Database Search


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MMsINC code: MMs01032347

Type: Neutral
Formula: C₂₃H₁₉FN₄O₃

SMILES:

Fc1ccccc1NC(=O)CN1c2ncccc2C(=O)N(CCc2ccccc2)C1=O

InChI:

InChI=1/C23H19FN4O3/c24-18-10-4-5-11-19(18)26-20(29)15-28-21-17(9-6-13-25-21)22(30)27(23(28)31)14-12-16-7-2-1-3-8-16/h1-11,13H,12,14-15H2,(H,26,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.7193 kcal/mol

Physical Properties
Molecular Weight: 418.428 g/mol	logS: -4.89982	SlogP: 3.48427	Reactive groups: 0

Topological Properties
Globularity: 0.0650074	Sterimol/B1: 3.00589	Sterimol/B2: 3.95584	Sterimol/B3: 3.98722
Sterimol/B4: 9.77706	Sterimol/L: 18.9591

Surface and Volume Properties
Accessible surface: 682.492	Positive charged surface: 399.177	Negative charged surface: 283.315	Volume: 380.125
Hydrophobic surface: 586.562	Hydrophilic surface: 95.93

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.