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MMsINC code: MMs03297464

Type: Neutral
Formula: C₁₄H₁₈N₂O₄

SMILES:

OC1CC(N(C1)C(OCc1ccccc1)=O)C(=O)NC

InChI:

InChI=1/C14H18N2O4/c1-15-13(18)12-7-11(17)8-16(12)14(19)20-9-10-5-3-2-4-6-10/h2-6,11-12,17H,7-9H2,1H3,(H,15,18)/t11-,12+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.2283 kcal/mol

Physical Properties
Molecular Weight: 278.308 g/mol	logS: -1.82248	SlogP: 0.7708	Reactive groups: 0

Topological Properties
Globularity: 0.0748319	Sterimol/B1: 2.2304	Sterimol/B2: 3.72869	Sterimol/B3: 3.73203
Sterimol/B4: 8.21174	Sterimol/L: 15.6908

Surface and Volume Properties
Accessible surface: 541.133	Positive charged surface: 391.883	Negative charged surface: 149.25	Volume: 263.125
Hydrophobic surface: 422.126	Hydrophilic surface: 119.007

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.