MMsINC Database Search


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MMsINC code: MMs00660839

Type: Neutral
Formula: C₂₃H₂₀ClNO₃

SMILES:

Clc1ccc(cc1)C(=O)COc1ccccc1C(=O)Nc1cccc(C)c1C

InChI:

InChI=1/C23H20ClNO3/c1-15-6-5-8-20(16(15)2)25-23(27)19-7-3-4-9-22(19)28-14-21(26)17-10-12-18(24)13-11-17/h3-13H,14H2,1-2H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=132.758 kcal/mol

Physical Properties
Molecular Weight: 393.87 g/mol	logS: -6.87318	SlogP: 5.47084	Reactive groups: 0

Topological Properties
Globularity: 0.014612	Sterimol/B1: 2.42971	Sterimol/B2: 3.56612	Sterimol/B3: 3.62611
Sterimol/B4: 8.30029	Sterimol/L: 20.4165

Surface and Volume Properties
Accessible surface: 668.48	Positive charged surface: 341.011	Negative charged surface: 327.469	Volume: 370.375
Hydrophobic surface: 612.116	Hydrophilic surface: 56.364

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.