MMsINC Database Search


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MMsINC code: MMs00940029

Type: Neutral
Formula: C₂₄H₁₉ClN₂O₂

SMILES:

Clc1ccccc1CNC(=O)c1cc(nc2c1cccc2)-c1ccc(OC)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.102 kcal/mol

Physical Properties
Molecular Weight: 402.881 g/mol	logS: -7.0673	SlogP: 5.7602	Reactive groups: 0

Topological Properties
Globularity: 0.0483614	Sterimol/B1: 2.39595	Sterimol/B2: 3.49065	Sterimol/B3: 4.7439
Sterimol/B4: 13.5397	Sterimol/L: 14.7924

Surface and Volume Properties
Accessible surface: 681.121	Positive charged surface: 368.006	Negative charged surface: 301.462	Volume: 378
Hydrophobic surface: 616.598	Hydrophilic surface: 64.523

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.