MMsINC Database Search


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

MMsINC code: MMs00588370

Type: Neutral
Formula: C₂₁H₁₇FN₂O

SMILES:

Fc1ccc(cc1)C1Nc2c(cccc2)C(=O)N1c1ccc(cc1)C

InChI:

InChI=1/C21H17FN2O/c1-14-6-12-17(13-7-14)24-20(15-8-10-16(22)11-9-15)23-19-5-3-2-4-18(19)21(24)25/h2-13,20,23H,1H3/t20-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.53 kcal/mol

Physical Properties
Molecular Weight: 332.378 g/mol	logS: -5.61171	SlogP: 5.00072	Reactive groups: 0

Topological Properties
Globularity: 0.15973	Sterimol/B1: 3.78658	Sterimol/B2: 3.86996	Sterimol/B3: 4.10459
Sterimol/B4: 7.01281	Sterimol/L: 15.0319

Surface and Volume Properties
Accessible surface: 554.763	Positive charged surface: 302.314	Negative charged surface: 252.45	Volume: 318.875
Hydrophobic surface: 508.176	Hydrophilic surface: 46.587

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: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.