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MMsINC code: MMs01697220

Type: Neutral
Formula: C₁₅H₁₆ClFN+

SMILES:

Clc1cccc(F)c1C[NH2+]Cc1ccc(cc1)C

InChI:

InChI=1/C15H15ClFN/c1-11-5-7-12(8-6-11)9-18-10-13-14(16)3-2-4-15(13)17/h2-8,18H,9-10H2,1H3/p+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=25.1332 kcal/mol

Physical Properties
Molecular Weight: 264.751 g/mol	logS: -4.37208	SlogP: 3.58392	Reactive groups: 0

Topological Properties
Globularity: 0.0987774	Sterimol/B1: 2.54735	Sterimol/B2: 3.56296	Sterimol/B3: 4.53219
Sterimol/B4: 4.83079	Sterimol/L: 15.4097

Surface and Volume Properties
Accessible surface: 503.983	Positive charged surface: 279.622	Negative charged surface: 224.361	Volume: 259.625
Hydrophobic surface: 478.101	Hydrophilic surface: 25.882

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

MMs01697221
ENAMINE-ZINC06787327