MMsINC Database Search


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MMsINC code: MMs01989735

Type: Neutral
Formula: C₁₈H₁₈N₂O₃

SMILES:

Oc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)c1ccccc1

InChI:

InChI=1/C18H18N2O3/c21-16-8-6-15(7-9-16)18(23)20-12-10-19(11-13-20)17(22)14-4-2-1-3-5-14/h1-9,21H,10-13H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=125.66 kcal/mol

Physical Properties
Molecular Weight: 310.353 g/mol	logS: -3.04639	SlogP: 1.9904	Reactive groups: 0

Topological Properties
Globularity: 0.0808451	Sterimol/B1: 2.45383	Sterimol/B2: 3.29897	Sterimol/B3: 3.31915
Sterimol/B4: 7.64206	Sterimol/L: 14.903

Surface and Volume Properties
Accessible surface: 541.249	Positive charged surface: 337.387	Negative charged surface: 203.862	Volume: 295.25
Hydrophobic surface: 424.81	Hydrophilic surface: 116.439

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