MMsINC Database Search


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MMsINC code: MMs02345641

Type: Neutral
Formula: C₁₄H₁₉NO₄

SMILES:

O(C)c1c(OC)cc(cc1OC)C(=O)NC1CCC1

InChI:

InChI=1/C14H19NO4/c1-17-11-7-9(8-12(18-2)13(11)19-3)14(16)15-10-5-4-6-10/h7-8,10H,4-6H2,1-3H3,(H,15,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.0256 kcal/mol

Physical Properties
Molecular Weight: 265.309 g/mol	logS: -2.4363	SlogP: 1.9947	Reactive groups: 0

Topological Properties
Globularity: 0.0479075	Sterimol/B1: 2.02613	Sterimol/B2: 3.00661	Sterimol/B3: 3.40248
Sterimol/B4: 9.13692	Sterimol/L: 14.622

Surface and Volume Properties
Accessible surface: 518.553	Positive charged surface: 287.537	Negative charged surface: 63.1771	Volume: 260.75
Hydrophobic surface: 463.507	Hydrophilic surface: 55.046

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.