MMsINC Database Search


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MMsINC code: MMs02820236

Type: Neutral
Formula: C₂₈H₂₄N₂

SMILES:

n1(c2c(c3c1cccc3)cccc2)CCCCn1c2c(c3c1cccc3)cccc2

InChI:

InChI=1/C28H24N2/c1-5-15-25-21(11-1)22-12-2-6-16-26(22)29(25)19-9-10-20-30-27-17-7-3-13-23(27)24-14-4-8-18-28(24)30/h1-8,11-18H,9-10,19-20H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.8873 kcal/mol

Physical Properties
Molecular Weight: 388.514 g/mol	logS: -7.64394	SlogP: 7.9156	Reactive groups: 0

Topological Properties
Globularity: 0.0212804	Sterimol/B1: 2.88975	Sterimol/B2: 2.93352	Sterimol/B3: 3.31088
Sterimol/B4: 8.99986	Sterimol/L: 17.0627

Surface and Volume Properties
Accessible surface: 698.741	Positive charged surface: 371.816	Negative charged surface: 305.212	Volume: 404.25
Hydrophobic surface: 698.741	Hydrophilic surface: 0

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	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.