MMsINC Database Search


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MMsINC code: MMs01144045

Type: Neutral
Formula: C₂₃H₂₆FN₃O

SMILES:

Fc1ccc(cc1)-c1nn(c(c1)C(=O)NCCCCCC)-c1cc(ccc1)C

InChI:

InChI=1/C23H26FN3O/c1-3-4-5-6-14-25-23(28)22-16-21(18-10-12-19(24)13-11-18)26-27(22)20-9-7-8-17(2)15-20/h7-13,15-16H,3-6,14H2,1-2H3,(H,25,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.5124 kcal/mol

Physical Properties
Molecular Weight: 379.479 g/mol	logS: -7.07656	SlogP: 5.29692	Reactive groups: 0

Topological Properties
Globularity: 0.0245995	Sterimol/B1: 3.37501	Sterimol/B2: 3.53606	Sterimol/B3: 7.35718
Sterimol/B4: 7.81916	Sterimol/L: 19.112

Surface and Volume Properties
Accessible surface: 712.386	Positive charged surface: 444.157	Negative charged surface: 268.229	Volume: 385.125
Hydrophobic surface: 641.186	Hydrophilic surface: 71.2

Pharmacophoric Properties
Hydrogen bond donors: 1	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.