MMsINC Database Search


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MMsINC code: MMs01076297

Type: Neutral
Formula: C₂₄H₁₆N₂O₂

SMILES:

o1c2c(nc1-c1cc(\N=C\c3c4c(ccc3O)cccc4)ccc1)cccc2

InChI:

InChI=1/C24H16N2O2/c27-22-13-12-16-6-1-2-9-19(16)20(22)15-25-18-8-5-7-17(14-18)24-26-21-10-3-4-11-23(21)28-24/h1-15,27H/b25-15+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.122 kcal/mol

Physical Properties
Molecular Weight: 364.404 g/mol	logS: -8.14122	SlogP: 6.1042	Reactive groups: 0

Topological Properties
Globularity: 0.0382012	Sterimol/B1: 2.12726	Sterimol/B2: 4.7004	Sterimol/B3: 5.18393
Sterimol/B4: 5.76617	Sterimol/L: 19.9811

Surface and Volume Properties
Accessible surface: 644.398	Positive charged surface: 353.295	Negative charged surface: 280.032	Volume: 351
Hydrophobic surface: 556.832	Hydrophilic surface: 87.566

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: 0

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Ions/Tautomers related molecules: no related molecules available.