MMsINC Database Search


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MMsINC code: MMs01186450

Type: Neutral
Formula: C₂₄H₂₀FN₃O₂

SMILES:

Fc1ccc(cc1)C(=O)Nc1cc2cc(n(c2cc1)Cc1cc(ccc1)C)C(=O)N

InChI:

InChI=1/C24H20FN3O2/c1-15-3-2-4-16(11-15)14-28-21-10-9-20(12-18(21)13-22(28)23(26)29)27-24(30)17-5-7-19(25)8-6-17/h2-13H,14H2,1H3,(H2,26,29)(H,27,30)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=132.122 kcal/mol

Physical Properties
Molecular Weight: 401.441 g/mol	logS: -6.48062	SlogP: 4.75472	Reactive groups: 0

Topological Properties
Globularity: 0.0574416	Sterimol/B1: 2.05931	Sterimol/B2: 3.44157	Sterimol/B3: 4.12237
Sterimol/B4: 10.2283	Sterimol/L: 18.5757

Surface and Volume Properties
Accessible surface: 665.557	Positive charged surface: 345.268	Negative charged surface: 314.041	Volume: 375.25
Hydrophobic surface: 535.277	Hydrophilic surface: 130.28

Pharmacophoric Properties
Hydrogen bond donors: 2	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.