MMsINC Database Search


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MMsINC code: MMs00908518

Type: Neutral
Formula: C₂₃H₁₉ClN₂O

SMILES:

Clc1cc2c(N(Cc3ccccc3C)C(=O)CN=C2c2ccccc2)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=142.198 kcal/mol

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

Topological Properties
Globularity: 0.436996	Sterimol/B1: 2.55039	Sterimol/B2: 5.90126	Sterimol/B3: 5.96114
Sterimol/B4: 7.68216	Sterimol/L: 12.0316

Surface and Volume Properties
Accessible surface: 577.149	Positive charged surface: 305.986	Negative charged surface: 271.162	Volume: 356
Hydrophobic surface: 535.385	Hydrophilic surface: 41.764

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.