MMsINC Database Search


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MMsINC code: MMs02940710

Type: Neutral
Formula: C₁₉H₂₀Cl₂N₂O₃

SMILES:

Clc1cc(cc(Cl)c1OCCCC)C(=O)Nc1ccc(NC(=O)C)cc1

InChI:

InChI=1/C19H20Cl2N2O3/c1-3-4-9-26-18-16(20)10-13(11-17(18)21)19(25)23-15-7-5-14(6-8-15)22-12(2)24/h5-8,10-11H,3-4,9H2,1-2H3,(H,22,24)(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.8682 kcal/mol

Physical Properties
Molecular Weight: 395.286 g/mol	logS: -6.12748	SlogP: 5.383	Reactive groups: 0

Topological Properties
Globularity: 0.0230602	Sterimol/B1: 2.7044	Sterimol/B2: 3.01182	Sterimol/B3: 4.88172
Sterimol/B4: 5.83418	Sterimol/L: 22.3849

Surface and Volume Properties
Accessible surface: 673.406	Positive charged surface: 361.923	Negative charged surface: 311.483	Volume: 356.25
Hydrophobic surface: 555.524	Hydrophilic surface: 117.882

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.