MMsINC Database Search


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MMsINC code: MMs02768970

Type: Neutral
Formula: C₂₄H₁₉FN₂O

SMILES:

Fc1ccc(cc1)C(=O)N1CCc2c([nH]c3c2cccc3)C1c1ccccc1

InChI:

InChI=1/C24H19FN2O/c25-18-12-10-17(11-13-18)24(28)27-15-14-20-19-8-4-5-9-21(19)26-22(20)23(27)16-6-2-1-3-7-16/h1-13,23,26H,14-15H2/t23-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.335 kcal/mol

Physical Properties
Molecular Weight: 370.427 g/mol	logS: -5.88249	SlogP: 5.19037	Reactive groups: 0

Topological Properties
Globularity: 0.283097	Sterimol/B1: 2.53642	Sterimol/B2: 4.21603	Sterimol/B3: 5.13176
Sterimol/B4: 9.25123	Sterimol/L: 15.0235

Surface and Volume Properties
Accessible surface: 600.729	Positive charged surface: 317.435	Negative charged surface: 276.977	Volume: 352.125
Hydrophobic surface: 554.015	Hydrophilic surface: 46.714

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.