MMsINC Database Search


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MMsINC code: MMs03098303

Type: Neutral
Formula: C₂₃H₁₉ClN₂

SMILES:

ClCc1ncn(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1

InChI:

InChI=1/C23H19ClN2/c24-16-22-17-26(18-25-22)23(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,17-18H,16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=159.239 kcal/mol

Physical Properties
Molecular Weight: 358.872 g/mol	logS: -6.07857	SlogP: 6.04	Reactive groups: 1

Topological Properties
Globularity: 0.653709	Sterimol/B1: 2.28547	Sterimol/B2: 4.1291	Sterimol/B3: 7.1237
Sterimol/B4: 7.91542	Sterimol/L: 13.2804

Surface and Volume Properties
Accessible surface: 586.93	Positive charged surface: 315.392	Negative charged surface: 271.538	Volume: 350.625
Hydrophobic surface: 486.088	Hydrophilic surface: 100.842

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

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.