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MMsINC code: MMs00525073

Type: Neutral
Formula: C₂₂H₁₉ClN₂O₃

SMILES:

Clc1ccc(cc1NC(=O)COc1ccccc1C)C(=O)Nc1ccccc1

InChI:

InChI=1/C22H19ClN2O3/c1-15-7-5-6-10-20(15)28-14-21(26)25-19-13-16(11-12-18(19)23)22(27)24-17-8-3-2-4-9-17/h2-13H,14H2,1H3,(H,24,27)(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=126.234 kcal/mol

Physical Properties
Molecular Weight: 394.858 g/mol	logS: -6.29644	SlogP: 4.91822	Reactive groups: 0

Topological Properties
Globularity: 0.022028	Sterimol/B1: 2.20315	Sterimol/B2: 2.22062	Sterimol/B3: 4.30898
Sterimol/B4: 9.9038	Sterimol/L: 20.2482

Surface and Volume Properties
Accessible surface: 679.622	Positive charged surface: 362.781	Negative charged surface: 316.84	Volume: 366.125
Hydrophobic surface: 600.957	Hydrophilic surface: 78.665

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

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Ions/Tautomers related molecules: no related molecules available.