MMsINC Database Search


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MMsINC code: MMs00477159

Type: Neutral
Formula: C₁₉H₂₀Cl₂N₂O₂

SMILES:

Clc1cc(NC(=O)C(NC(=O)c2ccc(cc2)C)C(C)C)cc(Cl)c1

InChI:

InChI=1/C19H20Cl2N2O2/c1-11(2)17(23-18(24)13-6-4-12(3)5-7-13)19(25)22-16-9-14(20)8-15(21)10-16/h4-11,17H,1-3H3,(H,22,25)(H,23,24)/t17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.5317 kcal/mol

Physical Properties
Molecular Weight: 379.287 g/mol	logS: -6.20069	SlogP: 4.69492	Reactive groups: 0

Topological Properties
Globularity: 0.0535565	Sterimol/B1: 3.4015	Sterimol/B2: 3.82271	Sterimol/B3: 4.52858
Sterimol/B4: 7.39465	Sterimol/L: 18.9652

Surface and Volume Properties
Accessible surface: 637.844	Positive charged surface: 300.005	Negative charged surface: 337.839	Volume: 349.25
Hydrophobic surface: 547.452	Hydrophilic surface: 90.392

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