MMsINC Database Search


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MMsINC code: MMs01061090

Type: Neutral
Formula: C₂₃H₂₅FN₄O

SMILES:

Fc1ccccc1N1CCN(CC1)C(=O)c1cc2nc(CC)c(nc2cc1)CC

InChI:

InChI=1/C23H25FN4O/c1-3-18-19(4-2)26-21-15-16(9-10-20(21)25-18)23(29)28-13-11-27(12-14-28)22-8-6-5-7-17(22)24/h5-10,15H,3-4,11-14H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=185.898 kcal/mol

Physical Properties
Molecular Weight: 392.478 g/mol	logS: -3.92011	SlogP: 3.85604	Reactive groups: 0

Topological Properties
Globularity: 0.0741795	Sterimol/B1: 2.91089	Sterimol/B2: 3.59328	Sterimol/B3: 5.51594
Sterimol/B4: 5.95374	Sterimol/L: 19.2592

Surface and Volume Properties
Accessible surface: 675.062	Positive charged surface: 439.466	Negative charged surface: 235.597	Volume: 380.25
Hydrophobic surface: 555.449	Hydrophilic surface: 119.613

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.