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MMsINC code: MMs01976865

Type: Neutral
Formula: C₁₃H₁₄FN₂+

SMILES:

Fc1ccc(cc1)C1[NH2+]CCn2c1ccc2

InChI:

InChI=1/C13H13FN2/c14-11-5-3-10(4-6-11)13-12-2-1-8-16(12)9-7-15-13/h1-6,8,13,15H,7,9H2/p+1/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=23.2448 kcal/mol

Physical Properties
Molecular Weight: 217.267 g/mol	logS: -1.80286	SlogP: 1.6555	Reactive groups: 0

Topological Properties
Globularity: 0.162749	Sterimol/B1: 2.52492	Sterimol/B2: 3.01232	Sterimol/B3: 4.30887
Sterimol/B4: 6.97861	Sterimol/L: 12.241

Surface and Volume Properties
Accessible surface: 421.57	Positive charged surface: 270.921	Negative charged surface: 150.649	Volume: 215.75
Hydrophobic surface: 361.768	Hydrophilic surface: 59.802

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	Acid groups: 0	Basic groups: 1
Chiral centers: 1

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

MMs01976866
IFLAB-ZINC00186723