MMsINC Database Search


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MMsINC code: MMs01448636

Type: Neutral
Formula: C₂₃H₂₁ClN₂O₂

SMILES:

Clc1ccc(cc1)C(=O)NCCC(=O)Nc1ccccc1Cc1ccccc1

InChI:

InChI=1/C23H21ClN2O2/c24-20-12-10-18(11-13-20)23(28)25-15-14-22(27)26-21-9-5-4-8-19(21)16-17-6-2-1-3-7-17/h1-13H,14-16H2,(H,25,28)(H,26,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.2226 kcal/mol

Physical Properties
Molecular Weight: 392.886 g/mol	logS: -5.94658	SlogP: 4.68937	Reactive groups: 0

Topological Properties
Globularity: 0.0514572	Sterimol/B1: 2.21108	Sterimol/B2: 2.27944	Sterimol/B3: 5.04224
Sterimol/B4: 9.35908	Sterimol/L: 19.2759

Surface and Volume Properties
Accessible surface: 673.344	Positive charged surface: 351.977	Negative charged surface: 321.367	Volume: 378.125
Hydrophobic surface: 605.719	Hydrophilic surface: 67.625

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.