MMsINC Database Search


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MMsINC code: MMs00957609

Type: Neutral
Formula: C₂₄H₂₀FN₃O

SMILES:

Fc1ccc(Nc2ncc(c3c2cccc3)C(=O)N(Cc2ccccc2)C)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=116.376 kcal/mol

Physical Properties
Molecular Weight: 385.442 g/mol	logS: -6.03922	SlogP: 5.6561	Reactive groups: 0

Topological Properties
Globularity: 0.0502076	Sterimol/B1: 2.73119	Sterimol/B2: 3.64743	Sterimol/B3: 4.00461
Sterimol/B4: 8.61942	Sterimol/L: 18.1139

Surface and Volume Properties
Accessible surface: 646.537	Positive charged surface: 371.709	Negative charged surface: 265.943	Volume: 371.5
Hydrophobic surface: 597.163	Hydrophilic surface: 49.374

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.