MMsINC Database Search


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MMsINC code: MMs00858473

Type: Neutral
Formula: C₂₄H₂₁FN₄

SMILES:

Fc1ccccc1-c1nc(N2CCN(CC2)c2ccccc2)c2c(n1)cccc2

InChI:

InChI=1/C24H21FN4/c25-21-12-6-4-10-19(21)23-26-22-13-7-5-11-20(22)24(27-23)29-16-14-28(15-17-29)18-8-2-1-3-9-18/h1-13H,14-17H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=196.188 kcal/mol

Physical Properties
Molecular Weight: 384.458 g/mol	logS: -7.22432	SlogP: 4.7625	Reactive groups: 0

Topological Properties
Globularity: 0.0583586	Sterimol/B1: 3.56154	Sterimol/B2: 3.63044	Sterimol/B3: 5.38551
Sterimol/B4: 7.84137	Sterimol/L: 18.134

Surface and Volume Properties
Accessible surface: 642.725	Positive charged surface: 390.84	Negative charged surface: 243.062	Volume: 369.875
Hydrophobic surface: 595.628	Hydrophilic surface: 47.097

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: 0	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.