MMsINC Database Search


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MMsINC code: MMs01207676

Type: Neutral
Formula: C₂₃H₁₉FN₄O₂

SMILES:

Fc1ccc(cc1)-c1nc(OC)nn1-c1ccc(NC(=O)c2ccc(cc2)C)cc1

InChI:

InChI=1/C23H19FN4O2/c1-15-3-5-17(6-4-15)22(29)25-19-11-13-20(14-12-19)28-21(26-23(27-28)30-2)16-7-9-18(24)10-8-16/h3-14H,1-2H3,(H,25,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=132.057 kcal/mol

Physical Properties
Molecular Weight: 402.429 g/mol	logS: -7.77792	SlogP: 4.64272	Reactive groups: 0

Topological Properties
Globularity: 0.0341447	Sterimol/B1: 3.34549	Sterimol/B2: 3.70669	Sterimol/B3: 5.0223
Sterimol/B4: 6.4756	Sterimol/L: 20.5195

Surface and Volume Properties
Accessible surface: 675.809	Positive charged surface: 393.791	Negative charged surface: 282.018	Volume: 372.5
Hydrophobic surface: 588.405	Hydrophilic surface: 87.404

Pharmacophoric Properties
Hydrogen bond donors: 1	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.