MMsINC Database Search


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MMsINC code: MMs00109671

Type: Neutral
Formula: C₁₄H₁₉NO₄

SMILES:

O1CCCC1CNC(=O)c1ccc(OC)cc1OC

InChI:

InChI=1/C14H19NO4/c1-17-10-5-6-12(13(8-10)18-2)14(16)15-9-11-4-3-7-19-11/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,15,16)/t11-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.1941 kcal/mol

Physical Properties
Molecular Weight: 265.309 g/mol	logS: -2.32679	SlogP: 1.6126	Reactive groups: 0

Topological Properties
Globularity: 0.0314789	Sterimol/B1: 1.969	Sterimol/B2: 3.02864	Sterimol/B3: 3.34087
Sterimol/B4: 8.61925	Sterimol/L: 15.8046

Surface and Volume Properties
Accessible surface: 520.413	Positive charged surface: 415.683	Negative charged surface: 104.73	Volume: 258.625
Hydrophobic surface: 459.961	Hydrophilic surface: 60.452

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.