MMsINC Database Search


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MMsINC code: MMs01322736

Type: Neutral
Formula: C₁₉H₁₉NO₄

SMILES:

O(C(=O)c1ccc(cc1)C)C(C(=O)Nc1ccc(cc1)C(=O)C)C

InChI:

InChI=1/C19H19NO4/c1-12-4-6-16(7-5-12)19(23)24-14(3)18(22)20-17-10-8-15(9-11-17)13(2)21/h4-11,14H,1-3H3,(H,20,22)/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.3888 kcal/mol

Physical Properties
Molecular Weight: 325.364 g/mol	logS: -4.87644	SlogP: 3.38162	Reactive groups: 0

Topological Properties
Globularity: 0.0297203	Sterimol/B1: 2.64022	Sterimol/B2: 2.87729	Sterimol/B3: 4.05288
Sterimol/B4: 6.85467	Sterimol/L: 19.2457

Surface and Volume Properties
Accessible surface: 612.177	Positive charged surface: 345.996	Negative charged surface: 266.181	Volume: 316.625
Hydrophobic surface: 484.085	Hydrophilic surface: 128.092

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.