MMsINC Database Search


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MMsINC code: MMs00538514

Type: Neutral
Formula: C₂₄H₁₉ClN₂O₂

SMILES:

Clc1ccccc1Cn1cc(c2c1cccc2)C(=O)C(=O)Nc1ccccc1C

InChI:

InChI=1/C24H19ClN2O2/c1-16-8-2-6-12-21(16)26-24(29)23(28)19-15-27(22-13-7-4-10-18(19)22)14-17-9-3-5-11-20(17)25/h2-13,15H,14H2,1H3,(H,26,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.68 kcal/mol

Physical Properties
Molecular Weight: 402.881 g/mol	logS: -6.53279	SlogP: 5.73922	Reactive groups: 0

Topological Properties
Globularity: 0.0695833	Sterimol/B1: 2.55903	Sterimol/B2: 5.21716	Sterimol/B3: 5.2887
Sterimol/B4: 6.74819	Sterimol/L: 17.1211

Surface and Volume Properties
Accessible surface: 651.99	Positive charged surface: 335.242	Negative charged surface: 311.741	Volume: 380.125
Hydrophobic surface: 578.958	Hydrophilic surface: 73.032

Pharmacophoric Properties
Hydrogen bond donors: 1	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.