MMsINC Database Search


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MMsINC code: MMs00818482

Type: Neutral
Formula: C₂₄H₂₅FN₂O

SMILES:

Fc1ccccc1N1CCN(CC1)Cc1cc(OCc2ccccc2)ccc1

InChI:

InChI=1/C24H25FN2O/c25-23-11-4-5-12-24(23)27-15-13-26(14-16-27)18-21-9-6-10-22(17-21)28-19-20-7-2-1-3-8-20/h1-12,17H,13-16,18-19H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=167.524 kcal/mol

Physical Properties
Molecular Weight: 376.475 g/mol	logS: -5.24018	SlogP: 5.2597	Reactive groups: 0

Topological Properties
Globularity: 0.0698157	Sterimol/B1: 2.75664	Sterimol/B2: 3.1406	Sterimol/B3: 4.8424
Sterimol/B4: 8.36132	Sterimol/L: 18.756

Surface and Volume Properties
Accessible surface: 686.098	Positive charged surface: 428.385	Negative charged surface: 257.713	Volume: 379.25
Hydrophobic surface: 658.818	Hydrophilic surface: 27.28

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

MMs00818483
CHEMBRIDGE-ZINC04981148