MMsINC Database Search


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MMsINC code: MMs00664207

Type: Neutral
Formula: C₂₄H₁₆N₂O₃

SMILES:

O(c1ccc(cc1)C)c1cc2c(cc1)C(=O)N(C2=O)c1c2ncccc2ccc1

InChI:

InChI=1/C24H16N2O3/c1-15-7-9-17(10-8-15)29-18-11-12-19-20(14-18)24(28)26(23(19)27)21-6-2-4-16-5-3-13-25-22(16)21/h2-14H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=126.792 kcal/mol

Physical Properties
Molecular Weight: 380.403 g/mol	logS: -6.60376	SlogP: 5.13612	Reactive groups: 0

Topological Properties
Globularity: 0.0462552	Sterimol/B1: 3.24625	Sterimol/B2: 3.56808	Sterimol/B3: 4.9334
Sterimol/B4: 6.35303	Sterimol/L: 19.3503

Surface and Volume Properties
Accessible surface: 646.587	Positive charged surface: 359.714	Negative charged surface: 280.929	Volume: 356.625
Hydrophobic surface: 563.894	Hydrophilic surface: 82.693

Pharmacophoric Properties
Hydrogen bond donors: 0	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.