MMsINC Database Search


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MMsINC code: MMs01465483

Type: Neutral
Formula: C₁₅H₂₃NO₄

SMILES:

O(C)c1c(OC)cc(cc1OC)CC(=O)NC(CC)C

InChI:

InChI=1/C15H23NO4/c1-6-10(2)16-14(17)9-11-7-12(18-3)15(20-5)13(8-11)19-4/h7-8,10H,6,9H2,1-5H3,(H,16,17)/t10-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.3592 kcal/mol

Physical Properties
Molecular Weight: 281.352 g/mol	logS: -2.59981	SlogP: 2.16957	Reactive groups: 0

Topological Properties
Globularity: 0.0525262	Sterimol/B1: 3.22067	Sterimol/B2: 3.38728	Sterimol/B3: 4.33135
Sterimol/B4: 7.4914	Sterimol/L: 15.6483

Surface and Volume Properties
Accessible surface: 566.114	Positive charged surface: 467.977	Negative charged surface: 98.1366	Volume: 288
Hydrophobic surface: 472.463	Hydrophilic surface: 93.651

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