MMsINC Database Search


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MMsINC code: MMs02579338

Type: Neutral
Formula: C₂₃H₂₁ClN₂O₃

SMILES:

Clc1ccccc1NC(=O)COc1ccc(cc1)C(=O)Nc1ccccc1CC

InChI:

InChI=1/C23H21ClN2O3/c1-2-16-7-3-5-9-20(16)26-23(28)17-11-13-18(14-12-17)29-15-22(27)25-21-10-6-4-8-19(21)24/h3-14H,2,15H2,1H3,(H,25,27)(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=127.942 kcal/mol

Physical Properties
Molecular Weight: 408.885 g/mol	logS: -6.81166	SlogP: 5.17217	Reactive groups: 0

Topological Properties
Globularity: 0.00904025	Sterimol/B1: 2.16832	Sterimol/B2: 2.37615	Sterimol/B3: 3.41187
Sterimol/B4: 7.87194	Sterimol/L: 22.6441

Surface and Volume Properties
Accessible surface: 706.476	Positive charged surface: 375.278	Negative charged surface: 331.198	Volume: 385.25
Hydrophobic surface: 609.564	Hydrophilic surface: 96.912

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.