MMsINC Database Search


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MMsINC code: MMs02713285

Type: Neutral
Formula: C₁₅H₁₈N₂O₃

SMILES:

O(C(=O)c1c2c(n(c1)CC(=O)NC(C)C)cccc2)C

InChI:

InChI=1/C15H18N2O3/c1-10(2)16-14(18)9-17-8-12(15(19)20-3)11-6-4-5-7-13(11)17/h4-8,10H,9H2,1-3H3,(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=42.91 kcal/mol

Physical Properties
Molecular Weight: 274.32 g/mol	logS: -2.77751	SlogP: 2.2189	Reactive groups: 0

Topological Properties
Globularity: 0.0621936	Sterimol/B1: 2.30167	Sterimol/B2: 3.76733	Sterimol/B3: 4.48758
Sterimol/B4: 8.10874	Sterimol/L: 14.9918

Surface and Volume Properties
Accessible surface: 530.418	Positive charged surface: 357.384	Negative charged surface: 167.781	Volume: 270.375
Hydrophobic surface: 406.309	Hydrophilic surface: 124.109

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 0

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.