MMsINC Database Search


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MMsINC code: MMs00281602

Type: Neutral
Formula: C₁₇H₁₈N₂O₃

SMILES:

OCCNC(=O)c1ccccc1NC(=O)c1ccc(cc1)C

InChI:

InChI=1/C17H18N2O3/c1-12-6-8-13(9-7-12)16(21)19-15-5-3-2-4-14(15)17(22)18-10-11-20/h2-9,20H,10-11H2,1H3,(H,18,22)(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.4904 kcal/mol

Physical Properties
Molecular Weight: 298.342 g/mol	logS: -3.77238	SlogP: 1.96942	Reactive groups: 0

Topological Properties
Globularity: 0.021135	Sterimol/B1: 2.55956	Sterimol/B2: 2.75107	Sterimol/B3: 3.52177
Sterimol/B4: 8.3141	Sterimol/L: 16.3915

Surface and Volume Properties
Accessible surface: 559.276	Positive charged surface: 356.634	Negative charged surface: 202.642	Volume: 289.5
Hydrophobic surface: 452.009	Hydrophilic surface: 107.267

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.