MMsINC Database Search


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MMsINC code: MMs01912109

Type: Neutral
Formula: C₂₄H₁₈N₂O₄

SMILES:

O=C1N(C(=O)CC12CC2(c1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1

InChI:

InChI=1/C24H18N2O4/c27-21-15-23(22(28)25(21)19-11-13-20(14-12-19)26(29)30)16-24(23,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14H,15-16H2/t23-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=120.675 kcal/mol

Physical Properties
Molecular Weight: 398.418 g/mol	logS: -6.01732	SlogP: 4.2345	Reactive groups: 0

Topological Properties
Globularity: 0.149014	Sterimol/B1: 2.50232	Sterimol/B2: 3.72926	Sterimol/B3: 4.95974
Sterimol/B4: 9.11347	Sterimol/L: 17.0531

Surface and Volume Properties
Accessible surface: 632.986	Positive charged surface: 298.798	Negative charged surface: 334.187	Volume: 369.125
Hydrophobic surface: 482.84	Hydrophilic surface: 150.146

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.