MMsINC Database Search


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MMsINC code: MMs00918718

Type: Neutral
Formula: C₂₄H₁₈N₂

SMILES:

n1c2c(ccc1C1=Cc3c(NC1c1ccccc1)cccc3)cccc2

InChI:

InChI=1/C24H18N2/c1-2-9-18(10-3-1)24-20(16-19-11-5-7-13-22(19)26-24)23-15-14-17-8-4-6-12-21(17)25-23/h1-16,24,26H/t24-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=116.181 kcal/mol

Physical Properties
Molecular Weight: 334.422 g/mol	logS: -6.09641	SlogP: 6.0377	Reactive groups: 0

Topological Properties
Globularity: 0.0976851	Sterimol/B1: 2.14356	Sterimol/B2: 2.32711	Sterimol/B3: 5.50178
Sterimol/B4: 8.2781	Sterimol/L: 16.4374

Surface and Volume Properties
Accessible surface: 579.036	Positive charged surface: 317.72	Negative charged surface: 256.325	Volume: 339
Hydrophobic surface: 540.341	Hydrophilic surface: 38.695

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.