MMsINC Database Search


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MMsINC code: MMs02649814

Type: Neutral
Formula: C₁₉H₂₃FN₂

SMILES:

Fc1ccc(cc1)CNC1CCN(CC1)Cc1ccccc1

InChI:

InChI=1/C19H23FN2/c20-18-8-6-16(7-9-18)14-21-19-10-12-22(13-11-19)15-17-4-2-1-3-5-17/h1-9,19,21H,10-15H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.2599 kcal/mol

Physical Properties
Molecular Weight: 298.405 g/mol	logS: -3.63853	SlogP: 4.1127	Reactive groups: 0

Topological Properties
Globularity: 0.0598135	Sterimol/B1: 2.45049	Sterimol/B2: 3.51208	Sterimol/B3: 3.80275
Sterimol/B4: 6.53575	Sterimol/L: 17.4991

Surface and Volume Properties
Accessible surface: 579.99	Positive charged surface: 373.026	Negative charged surface: 206.963	Volume: 310.125
Hydrophobic surface: 557.126	Hydrophilic surface: 22.864

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

MMs02649815
PUBCHEM-ZINC00279832