MMsINC Database Search


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MMsINC code: MMs00106867

Type: Neutral
Formula: C₂₁H₂₅FN₂O

SMILES:

Fc1ccccc1N1CCN(CC1)C(=O)c1ccc(cc1)C(C)(C)C

InChI:

InChI=1/C21H25FN2O/c1-21(2,3)17-10-8-16(9-11-17)20(25)24-14-12-23(13-15-24)19-7-5-4-6-18(19)22/h4-11H,12-15H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=172.729 kcal/mol

Physical Properties
Molecular Weight: 340.442 g/mol	logS: -5.61017	SlogP: 4.0856	Reactive groups: 0

Topological Properties
Globularity: 0.0856656	Sterimol/B1: 2.06662	Sterimol/B2: 3.29529	Sterimol/B3: 4.41117
Sterimol/B4: 7.29126	Sterimol/L: 17.262

Surface and Volume Properties
Accessible surface: 604.831	Positive charged surface: 388.414	Negative charged surface: 216.417	Volume: 343.5
Hydrophobic surface: 508.776	Hydrophilic surface: 96.055

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

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Ions/Tautomers related molecules: no related molecules available.