MMsINC Database Search


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MMsINC code: MMs01713587

Type: Neutral
Formula: C₂₃H₁₉FN₄O

SMILES:

Fc1ccccc1CN(C(=O)c1nc(n(n1)-c1ccccc1)-c1ccccc1)C

InChI:

InChI=1/C23H19FN4O/c1-27(16-18-12-8-9-15-20(18)24)23(29)21-25-22(17-10-4-2-5-11-17)28(26-21)19-13-6-3-7-14-19/h2-15H,16H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=146.094 kcal/mol

Physical Properties
Molecular Weight: 386.43 g/mol	logS: -6.32175	SlogP: 4.612	Reactive groups: 0

Topological Properties
Globularity: 0.0687541	Sterimol/B1: 3.36429	Sterimol/B2: 4.15692	Sterimol/B3: 4.45524
Sterimol/B4: 7.99775	Sterimol/L: 16.3678

Surface and Volume Properties
Accessible surface: 636.484	Positive charged surface: 367.636	Negative charged surface: 268.848	Volume: 365.25
Hydrophobic surface: 573.596	Hydrophilic surface: 62.888

Pharmacophoric Properties
Hydrogen bond donors: 0	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.