MMsINC Database Search


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MMsINC code: MMs01168302

Type: Neutral
Formula: C₂₄H₂₈FN₃O

SMILES:

Fc1cc(ccc1)Cn1cccc1CN(CC(C)C)C(=O)Nc1ccccc1C

InChI:

InChI=1/C24H28FN3O/c1-18(2)15-28(24(29)26-23-12-5-4-8-19(23)3)17-22-11-7-13-27(22)16-20-9-6-10-21(25)14-20/h4-14,18H,15-17H2,1-3H3,(H,26,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.6341 kcal/mol

Physical Properties
Molecular Weight: 393.506 g/mol	logS: -4.53435	SlogP: 6.20682	Reactive groups: 0

Topological Properties
Globularity: 0.150932	Sterimol/B1: 5.06883	Sterimol/B2: 5.7875	Sterimol/B3: 5.91345
Sterimol/B4: 6.47844	Sterimol/L: 16.7093

Surface and Volume Properties
Accessible surface: 665.548	Positive charged surface: 387.108	Negative charged surface: 278.44	Volume: 400.5
Hydrophobic surface: 591.128	Hydrophilic surface: 74.42

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