MMsINC Database Search


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MMsINC code: MMs02816996

Type: Neutral
Formula: C₂₈H₂₀N₂O₂

SMILES:

O=C1N(C(=O)c2c1cc(c1c3c(n(c12)CC)cccc3)-c1ccccc1)c1ccccc1

InChI:

InChI=1/C28H20N2O2/c1-2-29-23-16-10-9-15-20(23)24-21(18-11-5-3-6-12-18)17-22-25(26(24)29)28(32)30(27(22)31)19-13-7-4-8-14-19/h3-17H,2H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=124.931 kcal/mol

Physical Properties
Molecular Weight: 416.48 g/mol	logS: -8.54277	SlogP: 6.5484	Reactive groups: 0

Topological Properties
Globularity: 0.0272749	Sterimol/B1: 2.2065	Sterimol/B2: 2.30597	Sterimol/B3: 3.88399
Sterimol/B4: 9.74627	Sterimol/L: 17.516

Surface and Volume Properties
Accessible surface: 647.11	Positive charged surface: 355.32	Negative charged surface: 280.295	Volume: 403.375
Hydrophobic surface: 579.817	Hydrophilic surface: 67.293

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.