MMsINC Database Search


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MMsINC code: MMs01317693

Type: Neutral
Formula: C₁₈H₁₉NO₄

SMILES:

O(C)c1ccc(cc1)C(=O)COC(=O)c1ccc(N(C)C)cc1

InChI:

InChI=1/C18H19NO4/c1-19(2)15-8-4-14(5-9-15)18(21)23-12-17(20)13-6-10-16(22-3)11-7-13/h4-11H,12H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.119 kcal/mol

Physical Properties
Molecular Weight: 313.353 g/mol	logS: -3.84365	SlogP: 2.8009	Reactive groups: 0

Topological Properties
Globularity: 0.00505499	Sterimol/B1: 2.37634	Sterimol/B2: 2.51533	Sterimol/B3: 3.33483
Sterimol/B4: 5.26346	Sterimol/L: 20.8317

Surface and Volume Properties
Accessible surface: 593.522	Positive charged surface: 406.261	Negative charged surface: 187.261	Volume: 307.75
Hydrophobic surface: 509.404	Hydrophilic surface: 84.118

Pharmacophoric Properties
Hydrogen bond donors: 0	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.