MMsINC Database Search


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MMsINC code: MMs01696698

Type: Neutral
Formula: C₂₂H₂₀ClNO₃

SMILES:

Clc1cc(cc(OC)c1OC)C(=O)Nc1ccccc1Cc1ccccc1

InChI:

InChI=1/C22H20ClNO3/c1-26-20-14-17(13-18(23)21(20)27-2)22(25)24-19-11-7-6-10-16(19)12-15-8-4-3-5-9-15/h3-11,13-14H,12H2,1-2H3,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=123.203 kcal/mol

Physical Properties
Molecular Weight: 381.859 g/mol	logS: -5.99285	SlogP: 5.20027	Reactive groups: 0

Topological Properties
Globularity: 0.128577	Sterimol/B1: 2.4019	Sterimol/B2: 3.62319	Sterimol/B3: 6.83905
Sterimol/B4: 7.63375	Sterimol/L: 15.2759

Surface and Volume Properties
Accessible surface: 632.19	Positive charged surface: 381.66	Negative charged surface: 250.53	Volume: 361.875
Hydrophobic surface: 589.398	Hydrophilic surface: 42.792

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.