MMsINC Database Search


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MMsINC code: MMs02641591

Type: Neutral
Formula: C₂₀H₂₅FN₂

SMILES:

Fc1ccccc1CCNC1CCN(CC1)Cc1ccccc1

InChI:

InChI=1/C20H25FN2/c21-20-9-5-4-8-18(20)10-13-22-19-11-14-23(15-12-19)16-17-6-2-1-3-7-17/h1-9,19,22H,10-16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.8202 kcal/mol

Physical Properties
Molecular Weight: 312.432 g/mol	logS: -3.7	SlogP: 3.88877	Reactive groups: 0

Topological Properties
Globularity: 0.0580308	Sterimol/B1: 2.52064	Sterimol/B2: 3.18699	Sterimol/B3: 3.83406
Sterimol/B4: 7.1119	Sterimol/L: 17.7851

Surface and Volume Properties
Accessible surface: 605.844	Positive charged surface: 399.001	Negative charged surface: 206.843	Volume: 329
Hydrophobic surface: 585.597	Hydrophilic surface: 20.247

Pharmacophoric Properties
Hydrogen bond donors: 1	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

MMs02641592
PUBCHEM-ZINC00220237