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MMsINC code: MMs01354491

Type: Neutral
Formula: C₂₃H₁₉ClN₂O

SMILES:

Clc1ccccc1C1c2c([nH]c3c2cccc3)C(NC1)c1ccccc1O

InChI:

InChI=1/C23H19ClN2O/c24-18-10-4-1-7-14(18)17-13-25-22(16-9-3-6-12-20(16)27)23-21(17)15-8-2-5-11-19(15)26-23/h1-12,17,22,25-27H,13H2/t17-,22+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.429 kcal/mol

Physical Properties
Molecular Weight: 374.871 g/mol	logS: -5.53477	SlogP: 5.4469	Reactive groups: 0

Topological Properties
Globularity: 0.257995	Sterimol/B1: 3.78409	Sterimol/B2: 4.36484	Sterimol/B3: 4.92964
Sterimol/B4: 7.56485	Sterimol/L: 13.6634

Surface and Volume Properties
Accessible surface: 579.086	Positive charged surface: 304.823	Negative charged surface: 270.929	Volume: 351.75
Hydrophobic surface: 497.772	Hydrophilic surface: 81.314

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 2

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules

MMs01354492
ENAMINE-ZINC03293344