MMsINC Database Search


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MMsINC code: MMs02096969

Type: Neutral
Formula: C₁₅H₁₉NO₄

SMILES:

O(C)c1ccc(cc1)C(=O)N1CCC(CC1)C(OC)=O

InChI:

InChI=1/C15H19NO4/c1-19-13-5-3-11(4-6-13)14(17)16-9-7-12(8-10-16)15(18)20-2/h3-6,12H,7-10H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.0978 kcal/mol

Physical Properties
Molecular Weight: 277.32 g/mol	logS: -2.19243	SlogP: 1.7204	Reactive groups: 0

Topological Properties
Globularity: 0.0704008	Sterimol/B1: 2.28177	Sterimol/B2: 3.43303	Sterimol/B3: 3.96239
Sterimol/B4: 6.4797	Sterimol/L: 17.1496

Surface and Volume Properties
Accessible surface: 515.773	Positive charged surface: 389.9	Negative charged surface: 125.873	Volume: 268.375
Hydrophobic surface: 437.396	Hydrophilic surface: 78.377

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.