MMsINC Database Search


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MMsINC code: MMs02019971

Type: Neutral
Formula: C₂₄H₁₆N₂O₂

SMILES:

o1c2c(nc1-c1ccccc1NC(=O)c1c3c(ccc1)cccc3)cccc2

InChI:

InChI=1/C24H16N2O2/c27-23(18-12-7-9-16-8-1-2-10-17(16)18)25-20-13-4-3-11-19(20)24-26-21-14-5-6-15-22(21)28-24/h1-15H,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=124.9 kcal/mol

Physical Properties
Molecular Weight: 364.404 g/mol	logS: -8.54842	SlogP: 5.9003	Reactive groups: 0

Topological Properties
Globularity: 0.0272835	Sterimol/B1: 2.20828	Sterimol/B2: 3.96343	Sterimol/B3: 5.64302
Sterimol/B4: 7.45177	Sterimol/L: 16.4931

Surface and Volume Properties
Accessible surface: 601.023	Positive charged surface: 320.353	Negative charged surface: 270.212	Volume: 347.375
Hydrophobic surface: 548.811	Hydrophilic surface: 52.212

Pharmacophoric Properties
Hydrogen bond donors: 1	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.