MMsINC Database Search


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MMsINC code: MMs00688340

Type: Neutral
Formula: C₂₄H₁₆N₂O₃

SMILES:

o1c2c(nc1-c1cc(NC(=O)c3c4c(ccc3)cccc4)ccc1O)cccc2

InChI:

InChI=1/C24H16N2O3/c27-21-13-12-16(14-19(21)24-26-20-10-3-4-11-22(20)29-24)25-23(28)18-9-5-7-15-6-1-2-8-17(15)18/h1-14,27H,(H,25,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=127.606 kcal/mol

Physical Properties
Molecular Weight: 380.403 g/mol	logS: -8.18647	SlogP: 5.6059	Reactive groups: 0

Topological Properties
Globularity: 0.0257932	Sterimol/B1: 2.321	Sterimol/B2: 2.42601	Sterimol/B3: 4.04222
Sterimol/B4: 9.43017	Sterimol/L: 17.9918

Surface and Volume Properties
Accessible surface: 643.41	Positive charged surface: 351.042	Negative charged surface: 281.229	Volume: 356.75
Hydrophobic surface: 542.128	Hydrophilic surface: 101.282

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.