MMsINC Database Search


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MMsINC code: MMs01137739

Type: Neutral
Formula: C₂₄H₂₀FN₃O

SMILES:

Fc1ccc(cc1)-c1n(c(C)c(c1)C(=O)NCc1ncccc1)-c1ccccc1

InChI:

InChI=1/C24H20FN3O/c1-17-22(24(29)27-16-20-7-5-6-14-26-20)15-23(18-10-12-19(25)13-11-18)28(17)21-8-3-2-4-9-21/h2-15H,16H2,1H3,(H,27,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.739 kcal/mol

Physical Properties
Molecular Weight: 385.442 g/mol	logS: -5.35833	SlogP: 5.18322	Reactive groups: 0

Topological Properties
Globularity: 0.0508479	Sterimol/B1: 1.969	Sterimol/B2: 3.38319	Sterimol/B3: 3.81281
Sterimol/B4: 10.073	Sterimol/L: 17.8889

Surface and Volume Properties
Accessible surface: 661.125	Positive charged surface: 382.497	Negative charged surface: 278.628	Volume: 374.375
Hydrophobic surface: 600.179	Hydrophilic surface: 60.946

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.