MMsINC Database Search


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MMsINC code: MMs01882309

Type: Neutral
Formula: C₁₉H₁₉ClN₂O₃

SMILES:

Clc1ccc(cc1)C1N(N=C(C1)c1cc(OC)c(OC)cc1)C(=O)C

InChI:

InChI=1/C19H19ClN2O3/c1-12(23)22-17(13-4-7-15(20)8-5-13)11-16(21-22)14-6-9-18(24-2)19(10-14)25-3/h4-10,17H,11H2,1-3H3/t17-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.678 kcal/mol

Physical Properties
Molecular Weight: 358.825 g/mol	logS: -4.60413	SlogP: 4.1503	Reactive groups: 0

Topological Properties
Globularity: 0.0870825	Sterimol/B1: 2.0614	Sterimol/B2: 3.30952	Sterimol/B3: 5.04542
Sterimol/B4: 8.04727	Sterimol/L: 16.9431

Surface and Volume Properties
Accessible surface: 621.985	Positive charged surface: 394.037	Negative charged surface: 227.948	Volume: 336.25
Hydrophobic surface: 562.915	Hydrophilic surface: 59.07

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.