MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs00466932

Type: Neutral
Formula: C₁₅H₂₀N₂O₃

SMILES:

O(C)c1ccc(cc1)CCN1C(=O)C(NC1=O)C(C)C

InChI:

InChI=1/C15H20N2O3/c1-10(2)13-14(18)17(15(19)16-13)9-8-11-4-6-12(20-3)7-5-11/h4-7,10,13H,8-9H2,1-3H3,(H,16,19)/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=30.1047 kcal/mol

Physical Properties
Molecular Weight: 276.336 g/mol	logS: -2.64499	SlogP: 1.81407	Reactive groups: 0

Topological Properties
Globularity: 0.0519413	Sterimol/B1: 3.35625	Sterimol/B2: 3.7745	Sterimol/B3: 4.11215
Sterimol/B4: 4.34125	Sterimol/L: 17.359

Surface and Volume Properties
Accessible surface: 510.574	Positive charged surface: 345.272	Negative charged surface: 165.302	Volume: 274.125
Hydrophobic surface: 372.002	Hydrophilic surface: 138.572

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.