MMsINC Database Search


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MMsINC code: MMs01049744

Type: Neutral
Formula: C₂₃H₂₄FN₃O

SMILES:

Fc1cc(ccc1)-c1nc(c2n1CCCCC2)C(=O)N(C)c1cc(ccc1)C

InChI:

InChI=1/C23H24FN3O/c1-16-8-6-11-19(14-16)26(2)23(28)21-20-12-4-3-5-13-27(20)22(25-21)17-9-7-10-18(24)15-17/h6-11,14-15H,3-5,12-13H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=138.331 kcal/mol

Physical Properties
Molecular Weight: 377.463 g/mol	logS: -6.29669	SlogP: 5.26699	Reactive groups: 0

Topological Properties
Globularity: 0.0305593	Sterimol/B1: 2.66867	Sterimol/B2: 3.5543	Sterimol/B3: 4.91323
Sterimol/B4: 7.44125	Sterimol/L: 16.9468

Surface and Volume Properties
Accessible surface: 632.518	Positive charged surface: 409.265	Negative charged surface: 223.253	Volume: 369
Hydrophobic surface: 610.829	Hydrophilic surface: 21.689

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: 1

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Ions/Tautomers related molecules: no related molecules available.