MMsINC Database Search


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MMsINC code: MMs01790057

Type: Neutral
Formula: C₁₄H₁₈N₂O₃

SMILES:

O=C1N(CCCOC)C(=O)NC1Cc1ccccc1

InChI:

InChI=1/C14H18N2O3/c1-19-9-5-8-16-13(17)12(15-14(16)18)10-11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3,(H,15,18)/t12-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=17.7619 kcal/mol

Physical Properties
Molecular Weight: 262.309 g/mol	logS: -2.20827	SlogP: 1.18597	Reactive groups: 0

Topological Properties
Globularity: 0.0383755	Sterimol/B1: 2.36943	Sterimol/B2: 3.57234	Sterimol/B3: 3.9935
Sterimol/B4: 4.41636	Sterimol/L: 17.562

Surface and Volume Properties
Accessible surface: 513.55	Positive charged surface: 353.002	Negative charged surface: 160.548	Volume: 258.25
Hydrophobic surface: 409.429	Hydrophilic surface: 104.121

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.