MMsINC Database Search


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MMsINC code: MMs00908517

Type: Neutral
Formula: C₂₃H₁₉ClN₂O

SMILES:

Clc1cc2c(N(Cc3cc(ccc3)C)C(=O)CN=C2c2ccccc2)cc1

InChI:

InChI=1/C23H19ClN2O/c1-16-6-5-7-17(12-16)15-26-21-11-10-19(24)13-20(21)23(25-14-22(26)27)18-8-3-2-4-9-18/h2-13H,14-15H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=131.576 kcal/mol

Physical Properties
Molecular Weight: 374.871 g/mol	logS: -6.77351	SlogP: 5.29902	Reactive groups: 0

Topological Properties
Globularity: 0.364898	Sterimol/B1: 3.29389	Sterimol/B2: 5.10399	Sterimol/B3: 5.21565
Sterimol/B4: 8.25667	Sterimol/L: 13.0586

Surface and Volume Properties
Accessible surface: 611.983	Positive charged surface: 330.703	Negative charged surface: 281.281	Volume: 359.375
Hydrophobic surface: 567.334	Hydrophilic surface: 44.649

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.