MMsINC Database Search


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MMsINC code: MMs00163269

Type: Neutral
Formula: C₂₄H₁₆FN₃O₃

SMILES:

Fc1ccc(N2C(=Nc3c(cccc3)C2=O)CCN2C(=O)c3c(cccc3)C2=O)cc1

InChI:

InChI=1/C24H16FN3O3/c25-15-9-11-16(12-10-15)28-21(26-20-8-4-3-7-19(20)24(28)31)13-14-27-22(29)17-5-1-2-6-18(17)23(27)30/h1-12H,13-14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.0145 kcal/mol

Physical Properties
Molecular Weight: 413.408 g/mol	logS: -6.43041	SlogP: 4.2024	Reactive groups: 0

Topological Properties
Globularity: 0.083042	Sterimol/B1: 3.56913	Sterimol/B2: 3.96804	Sterimol/B3: 4.0247
Sterimol/B4: 9.47225	Sterimol/L: 17.7105

Surface and Volume Properties
Accessible surface: 665.162	Positive charged surface: 349.572	Negative charged surface: 315.59	Volume: 370.25
Hydrophobic surface: 549.9	Hydrophilic surface: 115.262

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.