MMsINC Database Search


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MMsINC code: MMs02746712

Type: Neutral
Formula: C₂₄H₁₈N₂

SMILES:

n1ccc(cc1)/C(=C(\c1ccccc1)/c1ccncc1)/c1ccccc1

InChI:

InChI=1/C24H18N2/c1-3-7-19(8-4-1)23(21-11-15-25-16-12-21)24(20-9-5-2-6-10-20)22-13-17-26-18-14-22/h1-18H/b24-23-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.93 kcal/mol

Physical Properties
Molecular Weight: 334.422 g/mol	logS: -5.29776	SlogP: 5.11858	Reactive groups: 0

Topological Properties
Globularity: 0.237712	Sterimol/B1: 2.19862	Sterimol/B2: 3.43209	Sterimol/B3: 3.45127
Sterimol/B4: 7.82553	Sterimol/L: 11.6172

Surface and Volume Properties
Accessible surface: 575.22	Positive charged surface: 398.594	Negative charged surface: 176.626	Volume: 343.5
Hydrophobic surface: 543.851	Hydrophilic surface: 31.369

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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: 1

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Ions/Tautomers related molecules: no related molecules available.