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MMsINC code: MMs01798439

Type: Neutral
Formula: C₂₄H₂₀N₂O₂

SMILES:

O(c1ccc(cc1CC=C)C)c1nc(nc2c1cccc2)-c1ccccc1O

InChI:

InChI=1/C24H20N2O2/c1-3-8-17-15-16(2)13-14-22(17)28-24-18-9-4-6-11-20(18)25-23(26-24)19-10-5-7-12-21(19)27/h3-7,9-15,27H,1,8H2,2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.149 kcal/mol

Physical Properties
Molecular Weight: 368.436 g/mol	logS: -8.18418	SlogP: 5.83159	Reactive groups: 0

Topological Properties
Globularity: 0.236592	Sterimol/B1: 2.40696	Sterimol/B2: 3.28352	Sterimol/B3: 7.95696
Sterimol/B4: 9.83045	Sterimol/L: 14.2917

Surface and Volume Properties
Accessible surface: 659.802	Positive charged surface: 376.734	Negative charged surface: 276.018	Volume: 366.375
Hydrophobic surface: 551.952	Hydrophilic surface: 107.85

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.