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MMsINC code: MMs00606274

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-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.312 kcal/mol

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

Topological Properties
Globularity: 0.0901062	Sterimol/B1: 2.17334	Sterimol/B2: 2.65633	Sterimol/B3: 4.93554
Sterimol/B4: 5.81869	Sterimol/L: 15.1096

Surface and Volume Properties
Accessible surface: 472.018	Positive charged surface: 243.852	Negative charged surface: 228.167	Volume: 243.75
Hydrophobic surface: 397.795	Hydrophilic surface: 74.223

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.