MMsINC Database Search


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MMsINC code: MMs00904400

Type: Neutral
Formula: C₂₃H₂₀FN₃O

SMILES:

Fc1cc(-n2c3c(nc2C)cc(cc3)C(=O)NCc2ccc(cc2)C)ccc1

InChI:

InChI=1/C23H20FN3O/c1-15-6-8-17(9-7-15)14-25-23(28)18-10-11-22-21(12-18)26-16(2)27(22)20-5-3-4-19(24)13-20/h3-13H,14H2,1-2H3,(H,25,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.2981 kcal/mol

Physical Properties
Molecular Weight: 373.431 g/mol	logS: -6.19767	SlogP: 4.97784	Reactive groups: 0

Topological Properties
Globularity: 0.041576	Sterimol/B1: 3.28947	Sterimol/B2: 3.5631	Sterimol/B3: 3.74723
Sterimol/B4: 7.58635	Sterimol/L: 18.1999

Surface and Volume Properties
Accessible surface: 670.385	Positive charged surface: 370.878	Negative charged surface: 299.507	Volume: 362.375
Hydrophobic surface: 595.588	Hydrophilic surface: 74.797

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.