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MMsINC code: MMs03955838

Type: Neutral
Formula: C₂₁H₂₅FN₂O

SMILES:

Fc1ccccc1CN1CCC(CC1)C(=O)NC(C)c1ccccc1

InChI:

InChI=1/C21H25FN2O/c1-16(17-7-3-2-4-8-17)23-21(25)18-11-13-24(14-12-18)15-19-9-5-6-10-20(19)22/h2-10,16,18H,11-15H2,1H3,(H,23,25)/t16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.2252 kcal/mol

Physical Properties
Molecular Weight: 340.442 g/mol	logS: -4.12785	SlogP: 4.277	Reactive groups: 0

Topological Properties
Globularity: 0.079354	Sterimol/B1: 3.05719	Sterimol/B2: 3.56883	Sterimol/B3: 4.25523
Sterimol/B4: 7.2762	Sterimol/L: 15.9332

Surface and Volume Properties
Accessible surface: 626.406	Positive charged surface: 399.922	Negative charged surface: 226.484	Volume: 346.375
Hydrophobic surface: 574.315	Hydrophilic surface: 52.091

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs03955839
VITASM-ZINC04679640