MMsINC Database Search


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MMsINC code: MMs03704023

Type: Neutral
Formula: C₁₉H₂₁ClN₂O₃

SMILES:

Clc1cc(ccc1)C(=O)NNC(=O)COc1ccccc1C(CC)C

InChI:

InChI=1/C19H21ClN2O3/c1-3-13(2)16-9-4-5-10-17(16)25-12-18(23)21-22-19(24)14-7-6-8-15(20)11-14/h4-11,13H,3,12H2,1-2H3,(H,21,23)(H,22,24)/t13-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.1542 kcal/mol

Physical Properties
Molecular Weight: 360.841 g/mol	logS: -6.10064	SlogP: 3.6935	Reactive groups: 0

Topological Properties
Globularity: 0.0231934	Sterimol/B1: 2.4024	Sterimol/B2: 2.48366	Sterimol/B3: 4.75055
Sterimol/B4: 8.98711	Sterimol/L: 18.2291

Surface and Volume Properties
Accessible surface: 653.206	Positive charged surface: 351.237	Negative charged surface: 301.969	Volume: 341
Hydrophobic surface: 504.235	Hydrophilic surface: 148.971

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.