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MMsINC code: MMs01962228

Type: Neutral
Formula: C₂₄H₂₀N₂O₂

SMILES:

O(Cc1ccc(cc1)C)c1cc(O)c(cc1)-c1ncncc1-c1ccccc1

InChI:

InChI=1/C24H20N2O2/c1-17-7-9-18(10-8-17)15-28-20-11-12-21(23(27)13-20)24-22(14-25-16-26-24)19-5-3-2-4-6-19/h2-14,16,27H,15H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.9 kcal/mol

Physical Properties
Molecular Weight: 368.436 g/mol	logS: -7.03955	SlogP: 5.67002	Reactive groups: 0

Topological Properties
Globularity: 0.0506761	Sterimol/B1: 3.38497	Sterimol/B2: 3.59282	Sterimol/B3: 5.29929
Sterimol/B4: 6.007	Sterimol/L: 18.4177

Surface and Volume Properties
Accessible surface: 649.57	Positive charged surface: 407.52	Negative charged surface: 237.326	Volume: 366.75
Hydrophobic surface: 543.193	Hydrophilic surface: 106.377

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.