MMsINC Database Search


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MMsINC code: MMs01545434

Type: Neutral
Formula: C₁₄H₁₆ClN₃O₃

SMILES:

Clc1ccc(cc1)CNC(=O)CN1C(=O)C(NC1=O)(C)C

InChI:

InChI=1/C14H16ClN3O3/c1-14(2)12(20)18(13(21)17-14)8-11(19)16-7-9-3-5-10(15)6-4-9/h3-6H,7-8H2,1-2H3,(H,16,19)(H,17,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=20.9759 kcal/mol

Physical Properties
Molecular Weight: 309.753 g/mol	logS: -3.36367	SlogP: 1.553	Reactive groups: 0

Topological Properties
Globularity: 0.0557096	Sterimol/B1: 2.40594	Sterimol/B2: 3.3529	Sterimol/B3: 4.53444
Sterimol/B4: 4.78973	Sterimol/L: 17.9378

Surface and Volume Properties
Accessible surface: 551.683	Positive charged surface: 301.996	Negative charged surface: 249.687	Volume: 276.75
Hydrophobic surface: 366.96	Hydrophilic surface: 184.723

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.