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MMsINC code: MMs03039985

Type: Neutral
Formula: C₂₀H₂₀N₂O₂

SMILES:

O(C(=O)C1NC(c2[nH]c3c(c2C1)cccc3)c1cc(ccc1)C)C

InChI:

InChI=1/C20H20N2O2/c1-12-6-5-7-13(10-12)18-19-15(11-17(22-18)20(23)24-2)14-8-3-4-9-16(14)21-19/h3-10,17-18,21-22H,11H2,1-2H3/t17-,18+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.3194 kcal/mol

Physical Properties
Molecular Weight: 320.392 g/mol	logS: -4.40206	SlogP: 3.34849	Reactive groups: 0

Topological Properties
Globularity: 0.156547	Sterimol/B1: 2.48405	Sterimol/B2: 2.54314	Sterimol/B3: 5.66894
Sterimol/B4: 9.56208	Sterimol/L: 14.4002

Surface and Volume Properties
Accessible surface: 570.273	Positive charged surface: 363.952	Negative charged surface: 201.253	Volume: 318.25
Hydrophobic surface: 499.86	Hydrophilic surface: 70.413

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

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

MMs03039986
PUBCHEM-ZINC03678492