MMsINC Database Search


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MMsINC code: MMs02649126

Type: Neutral
Formula: C₁₃H₂₁FN₂

SMILES:

Fc1ccc(cc1)CN(CCN(C)C)CC

InChI:

InChI=1/C13H21FN2/c1-4-16(10-9-15(2)3)11-12-5-7-13(14)8-6-12/h5-8H,4,9-11H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.7153 kcal/mol

Physical Properties
Molecular Weight: 224.323 g/mol	logS: -1.77641	SlogP: 2.4756	Reactive groups: 0

Topological Properties
Globularity: 0.172954	Sterimol/B1: 2.39711	Sterimol/B2: 3.2957	Sterimol/B3: 3.87826
Sterimol/B4: 8.16938	Sterimol/L: 12.0416

Surface and Volume Properties
Accessible surface: 472.91	Positive charged surface: 352.893	Negative charged surface: 120.017	Volume: 243.75
Hydrophobic surface: 442.732	Hydrophilic surface: 30.178

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs02649127
PUBCHEM-ZINC00277435