MMsINC Database Search


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MMsINC code: MMs00715113

Type: Neutral
Formula: C₂₃H₁₇ClN₂O₃

SMILES:

Clc1ccccc1-c1noc(C)c1C(=O)Nc1ccccc1Oc1ccccc1

InChI:

InChI=1/C23H17ClN2O3/c1-15-21(22(26-29-15)17-11-5-6-12-18(17)24)23(27)25-19-13-7-8-14-20(19)28-16-9-3-2-4-10-16/h2-14H,1H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=125.036 kcal/mol

Physical Properties
Molecular Weight: 404.853 g/mol	logS: -7.22679	SlogP: 6.34802	Reactive groups: 0

Topological Properties
Globularity: 0.225841	Sterimol/B1: 2.5441	Sterimol/B2: 2.6737	Sterimol/B3: 6.22595
Sterimol/B4: 9.33443	Sterimol/L: 14.6666

Surface and Volume Properties
Accessible surface: 644.504	Positive charged surface: 318.096	Negative charged surface: 326.408	Volume: 371.875
Hydrophobic surface: 599.991	Hydrophilic surface: 44.513

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.