MMsINC Database Search


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MMsINC code: MMs03634137

Type: Neutral
Formula: C₂₄H₁₆N₂O₂

SMILES:

o1c2c(nc1-c1cc(\N=C\c3c4c(ccc3)cccc4)ccc1O)cccc2

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=114.287 kcal/mol

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

Topological Properties
Globularity: 0.0390422	Sterimol/B1: 2.29267	Sterimol/B2: 2.4325	Sterimol/B3: 4.80368
Sterimol/B4: 8.69871	Sterimol/L: 18.7881

Surface and Volume Properties
Accessible surface: 647.673	Positive charged surface: 361.795	Negative charged surface: 274.807	Volume: 350.625
Hydrophobic surface: 559.53	Hydrophilic surface: 88.143

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.