MMsINC Database Search


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MMsINC code: MMs01126857

Type: Neutral
Formula: C₂₄H₂₀N₂O₂

SMILES:

O(C(=O)c1ccccc1)c1n(nc(c1)-c1ccccc1)-c1cccc(C)c1C

InChI:

InChI=1/C24H20N2O2/c1-17-10-9-15-22(18(17)2)26-23(28-24(27)20-13-7-4-8-14-20)16-21(25-26)19-11-5-3-6-12-19/h3-16H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=149.295 kcal/mol

Physical Properties
Molecular Weight: 368.436 g/mol	logS: -6.99368	SlogP: 5.37534	Reactive groups: 0

Topological Properties
Globularity: 0.047013	Sterimol/B1: 2.25107	Sterimol/B2: 2.60889	Sterimol/B3: 4.44232
Sterimol/B4: 11.9651	Sterimol/L: 16.933

Surface and Volume Properties
Accessible surface: 649.095	Positive charged surface: 343.402	Negative charged surface: 305.693	Volume: 366.375
Hydrophobic surface: 609.28	Hydrophilic surface: 39.815

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.