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MMsINC code: MMs00606273

Type: Neutral
Formula: C₁₄H₁₅ClN₂

SMILES:

Clc1cc(N)c(NC(C)c2ccccc2)cc1

InChI:

InChI=1/C14H15ClN2/c1-10(11-5-3-2-4-6-11)17-14-8-7-12(15)9-13(14)16/h2-10,17H,16H2,1H3/t10-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.2689 kcal/mol

Physical Properties
Molecular Weight: 246.741 g/mol	logS: -3.73162	SlogP: 4.1908	Reactive groups: 0

Topological Properties
Globularity: 0.0902408	Sterimol/B1: 2.17642	Sterimol/B2: 2.64576	Sterimol/B3: 4.93581
Sterimol/B4: 5.82752	Sterimol/L: 15.1102

Surface and Volume Properties
Accessible surface: 475.271	Positive charged surface: 246.441	Negative charged surface: 228.83	Volume: 244.375
Hydrophobic surface: 399.844	Hydrophilic surface: 75.427

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 0	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: no related molecules available.