MMsINC Database Search


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MMsINC code: MMs00213638

Type: Neutral
Formula: C₁₉H₁₆ClN₃O₃

SMILES:

Clc1ccccc1-c1noc(C)c1C(=O)Nc1ccccc1NC(=O)C

InChI:

InChI=1/C19H16ClN3O3/c1-11-17(18(23-26-11)13-7-3-4-8-14(13)20)19(25)22-16-10-6-5-9-15(16)21-12(2)24/h3-10H,1-2H3,(H,21,24)(H,22,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=112.009 kcal/mol

Physical Properties
Molecular Weight: 369.808 g/mol	logS: -5.65353	SlogP: 4.51412	Reactive groups: 0

Topological Properties
Globularity: 0.324965	Sterimol/B1: 2.15406	Sterimol/B2: 3.3239	Sterimol/B3: 6.44674
Sterimol/B4: 9.54165	Sterimol/L: 12.5202

Surface and Volume Properties
Accessible surface: 596.249	Positive charged surface: 290.109	Negative charged surface: 306.14	Volume: 330.625
Hydrophobic surface: 515.682	Hydrophilic surface: 80.567

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.