MMsINC Database Search


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MMsINC code: MMs02889701

Type: Neutral
Formula: C₂₀H₂₅FN₂

SMILES:

Fc1ccccc1CNC1CCN(CC1)CCc1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=46.0904 kcal/mol

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

Topological Properties
Globularity: 0.0449624	Sterimol/B1: 3.32601	Sterimol/B2: 3.3577	Sterimol/B3: 3.87288
Sterimol/B4: 4.46534	Sterimol/L: 20.442

Surface and Volume Properties
Accessible surface: 608.65	Positive charged surface: 398.789	Negative charged surface: 209.861	Volume: 326.875
Hydrophobic surface: 591.179	Hydrophilic surface: 17.471

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

MMs02889702
PUBCHEM-ZINC02497424