MMsINC Database Search


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MMsINC code: MMs03924317

Type: Neutral
Formula: C₂₄H₂₀N₂O₂

SMILES:

Oc1ccc2c(cccc2)c1\C=N\CC\N=C/c1c2c(ccc1O)cccc2

InChI:

InChI=1/C24H20N2O2/c27-23-11-9-17-5-1-3-7-19(17)21(23)15-25-13-14-26-16-22-20-8-4-2-6-18(20)10-12-24(22)28/h1-12,15-16,27-28H,13-14H2/b25-15-,26-16+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=150.194 kcal/mol

Physical Properties
Molecular Weight: 368.436 g/mol	logS: -6.41284	SlogP: 4.9422	Reactive groups: 0

Topological Properties
Globularity: 0.223148	Sterimol/B1: 2.74528	Sterimol/B2: 3.12592	Sterimol/B3: 7.0276
Sterimol/B4: 7.72146	Sterimol/L: 14.166

Surface and Volume Properties
Accessible surface: 644.315	Positive charged surface: 386.868	Negative charged surface: 239.766	Volume: 365.125
Hydrophobic surface: 526.474	Hydrophilic surface: 117.841

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.