MMsINC Database Search


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MMsINC code: MMs02610240

Type: Neutral
Formula: C₂₀H₁₉FN₄O

SMILES:

Fc1ccc(cc1)-c1cc(cnc1)-c1nc(nc(N2CCOCC2)c1)C

InChI:

InChI=1/C20H19FN4O/c1-14-23-19(11-20(24-14)25-6-8-26-9-7-25)17-10-16(12-22-13-17)15-2-4-18(21)5-3-15/h2-5,10-13H,6-9H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=132.459 kcal/mol

Physical Properties
Molecular Weight: 350.397 g/mol	logS: -4.66858	SlogP: 3.48972	Reactive groups: 0

Topological Properties
Globularity: 0.0145076	Sterimol/B1: 1.969	Sterimol/B2: 3.0194	Sterimol/B3: 3.08288
Sterimol/B4: 8.3855	Sterimol/L: 18.5647

Surface and Volume Properties
Accessible surface: 606.614	Positive charged surface: 401.562	Negative charged surface: 188.84	Volume: 331.125
Hydrophobic surface: 535.738	Hydrophilic surface: 70.876

Pharmacophoric Properties
Hydrogen bond donors: 0	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.