MMsINC Database Search


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MMsINC code: MMs01160174

Type: Neutral
Formula: C₂₄H₂₅FN₂O₂

SMILES:

Fc1ccccc1-n1c(cc(C(=O)N2CC(OC(C2)C)C)c1C)-c1ccccc1

InChI:

InChI=1/C24H25FN2O2/c1-16-14-26(15-17(2)29-16)24(28)20-13-23(19-9-5-4-6-10-19)27(18(20)3)22-12-8-7-11-21(22)25/h4-13,16-17H,14-15H2,1-3H3/t16-,17+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=139.961 kcal/mol

Physical Properties
Molecular Weight: 392.474 g/mol	logS: -5.53556	SlogP: 4.84122	Reactive groups: 0

Topological Properties
Globularity: 0.0994065	Sterimol/B1: 2.04062	Sterimol/B2: 3.49652	Sterimol/B3: 4.78951
Sterimol/B4: 9.45227	Sterimol/L: 16.211

Surface and Volume Properties
Accessible surface: 655.198	Positive charged surface: 400.452	Negative charged surface: 254.746	Volume: 383.375
Hydrophobic surface: 571.918	Hydrophilic surface: 83.28

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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

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Ions/Tautomers related molecules: no related molecules available.