MMsINC Database Search


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MMsINC code: MMs03240667

Type: Neutral
Formula: C₃₀H₂₆N₂

SMILES:

[nH]1cc(c2c1cccc2)C(=C(c1ccccc1)c1ccccc1)c1ccc(N(C)C)cc1

InChI:

InChI=1/C30H26N2/c1-32(2)25-19-17-24(18-20-25)30(27-21-31-28-16-10-9-15-26(27)28)29(22-11-5-3-6-12-22)23-13-7-4-8-14-23/h3-21,31H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=152.018 kcal/mol

Physical Properties
Molecular Weight: 414.552 g/mol	logS: -7.7179	SlogP: 6.87588	Reactive groups: 0

Topological Properties
Globularity: 0.17215	Sterimol/B1: 3.75876	Sterimol/B2: 4.79459	Sterimol/B3: 4.80738
Sterimol/B4: 8.93008	Sterimol/L: 16.051

Surface and Volume Properties
Accessible surface: 699.011	Positive charged surface: 461.108	Negative charged surface: 235.558	Volume: 435.75
Hydrophobic surface: 661.722	Hydrophilic surface: 37.289

Pharmacophoric Properties
Hydrogen bond donors: 1	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.