MMsINC Database Search


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MMsINC code: MMs00240074

Type: Neutral
Formula: C₂₁H₂₃FN₄

SMILES:

Fc1cc(ccc1)-c1nn2c(N=C3C(CCCC3)=C2N2CCCCC2)c1

InChI:

InChI=1/C21H23FN4/c22-16-8-6-7-15(13-16)19-14-20-23-18-10-3-2-9-17(18)21(26(20)24-19)25-11-4-1-5-12-25/h6-8,13-14H,1-5,9-12H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.2459 kcal/mol

Physical Properties
Molecular Weight: 350.441 g/mol	logS: -5.23946	SlogP: 5.0038	Reactive groups: 0

Topological Properties
Globularity: 0.0591669	Sterimol/B1: 3.47813	Sterimol/B2: 3.60309	Sterimol/B3: 5.8828
Sterimol/B4: 5.88691	Sterimol/L: 16.2104

Surface and Volume Properties
Accessible surface: 585.201	Positive charged surface: 384.299	Negative charged surface: 200.903	Volume: 340.75
Hydrophobic surface: 545.606	Hydrophilic surface: 39.595

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.