MMsINC Database Search


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MMsINC code: MMs02197104

Type: Neutral
Formula: C₂₄H₁₉ClN₂O₃

SMILES:

Clc1ccc(cc1)C(=O)N(CCN1C(=O)c2c(cccc2)C1=O)c1ccccc1C

InChI:

InChI=1/C24H19ClN2O3/c1-16-6-2-5-9-21(16)26(22(28)17-10-12-18(25)13-11-17)14-15-27-23(29)19-7-3-4-8-20(19)24(27)30/h2-13H,14-15H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=114.54 kcal/mol

Physical Properties
Molecular Weight: 418.88 g/mol	logS: -6.48783	SlogP: 4.59142	Reactive groups: 0

Topological Properties
Globularity: 0.0821728	Sterimol/B1: 2.07276	Sterimol/B2: 3.63227	Sterimol/B3: 6.67593
Sterimol/B4: 6.9049	Sterimol/L: 19.1428

Surface and Volume Properties
Accessible surface: 658.046	Positive charged surface: 329.607	Negative charged surface: 328.439	Volume: 386.625
Hydrophobic surface: 560.333	Hydrophilic surface: 97.713

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.