MMsINC Database Search


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MMsINC code: MMs01179011

Type: Neutral
Formula: C₂₀H₁₈N₂O₃

SMILES:

O1CCOc2c1cc(cc2)C(=O)N(Cc1c2c(ncc1)cccc2)C

InChI:

InChI=1/C20H18N2O3/c1-22(13-15-8-9-21-17-5-3-2-4-16(15)17)20(23)14-6-7-18-19(12-14)25-11-10-24-18/h2-9,12H,10-11,13H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=126.36 kcal/mol

Physical Properties
Molecular Weight: 334.375 g/mol	logS: -4.03106	SlogP: 3.5446	Reactive groups: 0

Topological Properties
Globularity: 0.0850171	Sterimol/B1: 2.29834	Sterimol/B2: 3.75339	Sterimol/B3: 3.87656
Sterimol/B4: 8.18365	Sterimol/L: 15.2851

Surface and Volume Properties
Accessible surface: 560.555	Positive charged surface: 395.08	Negative charged surface: 161.184	Volume: 316.5
Hydrophobic surface: 489.975	Hydrophilic surface: 70.58

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.