MMsINC Database Search


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MMsINC code: MMs03334321

Type: Neutral
Formula: C₂₄H₁₆N₂O

SMILES:

O=C(c1cc2c(cc1)cccc2)c1[nH]c(cn1)-c1cc2c(cc1)cccc2

InChI:

InChI=1/C24H16N2O/c27-23(21-12-10-17-6-2-4-8-19(17)14-21)24-25-15-22(26-24)20-11-9-16-5-1-3-7-18(16)13-20/h1-15H,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.768 kcal/mol

Physical Properties
Molecular Weight: 348.405 g/mol	logS: -8.04467	SlogP: 5.6141	Reactive groups: 0

Topological Properties
Globularity: 0.000386761	Sterimol/B1: 2.14826	Sterimol/B2: 2.3042	Sterimol/B3: 4.35007
Sterimol/B4: 5.66184	Sterimol/L: 19.9414

Surface and Volume Properties
Accessible surface: 619.85	Positive charged surface: 320.078	Negative charged surface: 278.125	Volume: 340
Hydrophobic surface: 557.526	Hydrophilic surface: 62.324

Pharmacophoric Properties
Hydrogen bond donors: 2	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.