MMsINC Database Search


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MMsINC code: MMs02727047

Type: Neutral
Formula: C₂₃H₂₀ClNO₃

SMILES:

Clc1cc(C(=O)c2ccccc2)c(NC(=O)COc2cc(ccc2C)C)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=121.147 kcal/mol

Physical Properties
Molecular Weight: 393.87 g/mol	logS: -6.87318	SlogP: 5.20534	Reactive groups: 0

Topological Properties
Globularity: 0.109507	Sterimol/B1: 2.50703	Sterimol/B2: 4.29542	Sterimol/B3: 6.34089
Sterimol/B4: 8.15118	Sterimol/L: 16.9168

Surface and Volume Properties
Accessible surface: 676.987	Positive charged surface: 349.714	Negative charged surface: 327.273	Volume: 372.75
Hydrophobic surface: 613.97	Hydrophilic surface: 63.017

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.