MMsINC Database Search


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MMsINC code: MMs00594494

Type: Neutral
Formula: C₁₈H₂₀N₂O₃

SMILES:

Oc1ccccc1NC(=O)c1ccc(NC(=O)C(C)(C)C)cc1

InChI:

InChI=1/C18H20N2O3/c1-18(2,3)17(23)19-13-10-8-12(9-11-13)16(22)20-14-6-4-5-7-15(14)21/h4-11,21H,1-3H3,(H,19,23)(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.9613 kcal/mol

Physical Properties
Molecular Weight: 312.369 g/mol	logS: -3.80768	SlogP: 3.6291	Reactive groups: 0

Topological Properties
Globularity: 0.0247535	Sterimol/B1: 2.63473	Sterimol/B2: 2.93133	Sterimol/B3: 4.00129
Sterimol/B4: 6.11915	Sterimol/L: 18.4709

Surface and Volume Properties
Accessible surface: 578.229	Positive charged surface: 348.309	Negative charged surface: 229.92	Volume: 308.625
Hydrophobic surface: 422.531	Hydrophilic surface: 155.698

Pharmacophoric Properties
Hydrogen bond donors: 3	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.