MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs01788297

Type: Neutral
Formula: C₂₄H₂₂FN₃O

SMILES:

Fc1ccc(cc1)-c1nc(cc2c1[nH]c1c2cccc1)C(=O)NC1CCCCC1

InChI:

InChI=1/C24H22FN3O/c25-16-12-10-15(11-13-16)22-23-19(18-8-4-5-9-20(18)27-23)14-21(28-22)24(29)26-17-6-2-1-3-7-17/h4-5,8-14,17,27H,1-3,6-7H2,(H,26,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.3002 kcal/mol

Physical Properties
Molecular Weight: 387.458 g/mol	logS: -6.72367	SlogP: 5.5847	Reactive groups: 0

Topological Properties
Globularity: 0.0357156	Sterimol/B1: 2.52658	Sterimol/B2: 3.1978	Sterimol/B3: 3.69873
Sterimol/B4: 11.6871	Sterimol/L: 17.945

Surface and Volume Properties
Accessible surface: 663.736	Positive charged surface: 381.334	Negative charged surface: 266.919	Volume: 371
Hydrophobic surface: 603.701	Hydrophilic surface: 60.035

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 0

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.