MMsINC Database Search


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MMsINC code: MMs01969470

Type: Neutral
Formula: C₂₃H₂₄FN₃O₂

SMILES:

Fc1ccccc1C(=O)N(Cc1onc(n1)-c1cc(ccc1)C)C1CCCCC1

InChI:

InChI=1/C23H24FN3O2/c1-16-8-7-9-17(14-16)22-25-21(29-26-22)15-27(18-10-3-2-4-11-18)23(28)19-12-5-6-13-20(19)24/h5-9,12-14,18H,2-4,10-11,15H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=297.671 kcal/mol

Physical Properties
Molecular Weight: 393.462 g/mol	logS: -7.23181	SlogP: 5.42562	Reactive groups: 0

Topological Properties
Globularity: 0.0638835	Sterimol/B1: 3.28914	Sterimol/B2: 3.56288	Sterimol/B3: 4.99809
Sterimol/B4: 7.33012	Sterimol/L: 17.5953

Surface and Volume Properties
Accessible surface: 648.776	Positive charged surface: 383.165	Negative charged surface: 265.611	Volume: 371.875
Hydrophobic surface: 579.653	Hydrophilic surface: 69.123

Pharmacophoric Properties
Hydrogen bond donors: 0	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.