MMsINC Database Search


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MMsINC code: MMs01429915

Type: Neutral
Formula: C₂₀H₁₈N₂O₃

SMILES:

o1c2c(cc1C(=O)N1CCN(CC1)C(=O)c1ccccc1)cccc2

InChI:

InChI=1/C20H18N2O3/c23-19(15-6-2-1-3-7-15)21-10-12-22(13-11-21)20(24)18-14-16-8-4-5-9-17(16)25-18/h1-9,14H,10-13H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.98 kcal/mol

Physical Properties
Molecular Weight: 334.375 g/mol	logS: -5.00659	SlogP: 3.031	Reactive groups: 0

Topological Properties
Globularity: 0.0308389	Sterimol/B1: 2.75497	Sterimol/B2: 3.76363	Sterimol/B3: 4.30335
Sterimol/B4: 4.45971	Sterimol/L: 18.8057

Surface and Volume Properties
Accessible surface: 583.185	Positive charged surface: 354.323	Negative charged surface: 223.408	Volume: 317.5
Hydrophobic surface: 515.415	Hydrophilic surface: 67.77

Pharmacophoric Properties
Hydrogen bond donors: 0	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.