MMsINC Database Search


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MMsINC code: MMs02947145

Type: Neutral
Formula: C₂₄H₂₀FN₃O

SMILES:

Fc1ccc(cc1NC(=O)c1cc(nc2c1cc(cc2C)C)-c1ncccc1)C

InChI:

InChI=1/C24H20FN3O/c1-14-7-8-19(25)21(12-14)28-24(29)18-13-22(20-6-4-5-9-26-20)27-23-16(3)10-15(2)11-17(18)23/h4-13H,1-3H3,(H,28,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=122.373 kcal/mol

Physical Properties
Molecular Weight: 385.442 g/mol	logS: -6.45254	SlogP: 5.61346	Reactive groups: 0

Topological Properties
Globularity: 0.0169567	Sterimol/B1: 2.52857	Sterimol/B2: 3.60377	Sterimol/B3: 6.71059
Sterimol/B4: 7.41038	Sterimol/L: 16.7642

Surface and Volume Properties
Accessible surface: 661.345	Positive charged surface: 391.984	Negative charged surface: 264.471	Volume: 371
Hydrophobic surface: 603.723	Hydrophilic surface: 57.622

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.