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MMsINC code: MMs03803546

Type: Neutral
Formula: C₂₀H₂₀N₂O₂

SMILES:

O(C)c1c2c(ccc1OC)C(NCC2)c1c2c(ncc1)cccc2

InChI:

InChI=1/C20H20N2O2/c1-23-18-8-7-14-16(20(18)24-2)10-12-22-19(14)15-9-11-21-17-6-4-3-5-13(15)17/h3-9,11,19,22H,10,12H2,1-2H3/t19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=122.85 kcal/mol

Physical Properties
Molecular Weight: 320.392 g/mol	logS: -3.76645	SlogP: 3.58257	Reactive groups: 0

Topological Properties
Globularity: 0.154725	Sterimol/B1: 2.10664	Sterimol/B2: 3.82454	Sterimol/B3: 5.22906
Sterimol/B4: 9.34123	Sterimol/L: 14.6453

Surface and Volume Properties
Accessible surface: 550.164	Positive charged surface: 405.98	Negative charged surface: 141.628	Volume: 315.375
Hydrophobic surface: 500.308	Hydrophilic surface: 49.856

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs03803547
PUBCHEM-ZINC06570992