MMsINC Database Search


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MMsINC code: MMs00999668

Type: Neutral
Formula: C₂₃H₁₉ClN₂O₂

SMILES:

Clc1ccc(NC(=O)CCCN2c3c(cccc3)C(=O)c3c2cccc3)cc1

InChI:

InChI=1/C23H19ClN2O2/c24-16-11-13-17(14-12-16)25-22(27)10-5-15-26-20-8-3-1-6-18(20)23(28)19-7-2-4-9-21(19)26/h1-4,6-9,11-14H,5,10,15H2,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.082 kcal/mol

Physical Properties
Molecular Weight: 390.87 g/mol	logS: -6.37787	SlogP: 5.4414	Reactive groups: 0

Topological Properties
Globularity: 0.0679765	Sterimol/B1: 2.43024	Sterimol/B2: 3.89006	Sterimol/B3: 4.00426
Sterimol/B4: 9.66654	Sterimol/L: 18.5381

Surface and Volume Properties
Accessible surface: 651.351	Positive charged surface: 341.001	Negative charged surface: 310.35	Volume: 366.25
Hydrophobic surface: 564.652	Hydrophilic surface: 86.699

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.