MMsINC Database Search


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MMsINC code: MMs03368708

Type: Neutral
Formula: C₂₄H₁₈N₂

SMILES:

n1c2cc(C)c(cc2nc2c3c(cccc3)c(cc12)-c1ccccc1)C

InChI:

InChI=1/C24H18N2/c1-15-12-21-22(13-16(15)2)26-24-19-11-7-6-10-18(19)20(14-23(24)25-21)17-8-4-3-5-9-17/h3-14H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=136.324 kcal/mol

Physical Properties
Molecular Weight: 334.422 g/mol	logS: -7.75166	SlogP: 6.22004	Reactive groups: 0

Topological Properties
Globularity: 0.0200907	Sterimol/B1: 2.83277	Sterimol/B2: 2.96797	Sterimol/B3: 3.16322
Sterimol/B4: 8.47719	Sterimol/L: 17.0996

Surface and Volume Properties
Accessible surface: 595.847	Positive charged surface: 331.724	Negative charged surface: 250.518	Volume: 340.75
Hydrophobic surface: 546.213	Hydrophilic surface: 49.634

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: 0

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Ions/Tautomers related molecules: no related molecules available.