MMsINC Database Search


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MMsINC code: MMs01158394

Type: Neutral
Formula: C₂₄H₂₅FN₂O₂

SMILES:

Fc1ccc(cc1)Cn1cccc1CN(C(=O)COCc1ccccc1)CC=C

InChI:

InChI=1/C24H25FN2O2/c1-2-14-27(24(28)19-29-18-21-7-4-3-5-8-21)17-23-9-6-15-26(23)16-20-10-12-22(25)13-11-20/h2-13,15H,1,14,16-19H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.4976 kcal/mol

Physical Properties
Molecular Weight: 392.474 g/mol	logS: -4.38482	SlogP: 5.2061	Reactive groups: 0

Topological Properties
Globularity: 0.0914204	Sterimol/B1: 2.35988	Sterimol/B2: 4.76945	Sterimol/B3: 4.78706
Sterimol/B4: 9.0923	Sterimol/L: 19.4713

Surface and Volume Properties
Accessible surface: 705.921	Positive charged surface: 396.993	Negative charged surface: 308.928	Volume: 395.875
Hydrophobic surface: 589.555	Hydrophilic surface: 116.366

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1

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Ions/Tautomers related molecules: no related molecules available.