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MMsINC code: MMs03148358

Type: Neutral
Formula: C₁₅H₁₅ClFN

SMILES:

Clc1cccc(F)c1CNC(C)c1ccccc1

InChI:

InChI=1/C15H15ClFN/c1-11(12-6-3-2-4-7-12)18-10-13-14(16)8-5-9-15(13)17/h2-9,11,18H,10H2,1H3/t11-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=41.2996 kcal/mol

Physical Properties
Molecular Weight: 263.743 g/mol	logS: -4.24976	SlogP: 4.6918	Reactive groups: 0

Topological Properties
Globularity: 0.126062	Sterimol/B1: 2.13723	Sterimol/B2: 3.45063	Sterimol/B3: 3.88603
Sterimol/B4: 6.36549	Sterimol/L: 13.9911

Surface and Volume Properties
Accessible surface: 488.522	Positive charged surface: 245.907	Negative charged surface: 242.615	Volume: 253.25
Hydrophobic surface: 459.487	Hydrophilic surface: 29.035

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

MMs03148359
PUBCHEM-ZINC04657456