MMsINC Database Search


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MMsINC code: MMs01139950

Type: Neutral
Formula: C₂₄H₂₀FN₃O

SMILES:

Fc1ccc(cc1)-c1nn(c(c1)C(=O)NCc1ccccc1)-c1ccc(cc1)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.1209 kcal/mol

Physical Properties
Molecular Weight: 385.442 g/mol	logS: -6.76982	SlogP: 5.18322	Reactive groups: 0

Topological Properties
Globularity: 0.0551772	Sterimol/B1: 2.33437	Sterimol/B2: 3.57599	Sterimol/B3: 3.77598
Sterimol/B4: 13.9093	Sterimol/L: 16.4115

Surface and Volume Properties
Accessible surface: 685.943	Positive charged surface: 372.814	Negative charged surface: 313.128	Volume: 373.625
Hydrophobic surface: 632.802	Hydrophilic surface: 53.141

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.