MMsINC Database Search


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MMsINC code: MMs02901213

Type: Neutral
Formula: C₁₉H₂₅ClN₂O₂

SMILES:

Clc1ccccc1-c1noc(C)c1C(=O)NC(CC(C)(C)C)(C)C

InChI:

InChI=1/C19H25ClN2O2/c1-12-15(17(23)21-19(5,6)11-18(2,3)4)16(22-24-12)13-9-7-8-10-14(13)20/h7-10H,11H2,1-6H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=180.363 kcal/mol

Physical Properties
Molecular Weight: 348.874 g/mol	logS: -6.34928	SlogP: 5.24802	Reactive groups: 0

Topological Properties
Globularity: 0.34771	Sterimol/B1: 2.43826	Sterimol/B2: 4.3631	Sterimol/B3: 4.88512
Sterimol/B4: 9.47496	Sterimol/L: 11.9965

Surface and Volume Properties
Accessible surface: 562.448	Positive charged surface: 297.285	Negative charged surface: 265.163	Volume: 340.875
Hydrophobic surface: 457.596	Hydrophilic surface: 104.852

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.