MMsINC Database Search


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MMsINC code: MMs01523996

Type: Neutral
Formula: C₁₉H₂₄ClN₃O₃

SMILES:

Clc1cc(NC(=O)CN2C(=O)C3(NC2=O)CCCCCCC3)ccc1C

InChI:

InChI=1/C19H24ClN3O3/c1-13-7-8-14(11-15(13)20)21-16(24)12-23-17(25)19(22-18(23)26)9-5-3-2-4-6-10-19/h7-8,11H,2-6,9-10,12H2,1H3,(H,21,24)(H,22,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.437 kcal/mol

Physical Properties
Molecular Weight: 377.872 g/mol	logS: -5.42726	SlogP: 3.62182	Reactive groups: 0

Topological Properties
Globularity: 0.08208	Sterimol/B1: 2.47673	Sterimol/B2: 4.02665	Sterimol/B3: 4.99371
Sterimol/B4: 6.30593	Sterimol/L: 17.4656

Surface and Volume Properties
Accessible surface: 611.964	Positive charged surface: 372.788	Negative charged surface: 239.176	Volume: 341.75
Hydrophobic surface: 489.606	Hydrophilic surface: 122.358

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.