MMsINC Database Search


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MMsINC code: MMs01879818

Type: Neutral
Formula: C₂₄H₁₈N₂O

SMILES:

O=C1N2CC(c3c([nH]c4c3cccc4)C2c2c1cccc2)c1ccccc1

InChI:

InChI=1/C24H18N2O/c27-24-17-11-5-4-10-16(17)23-22-21(18-12-6-7-13-20(18)25-22)19(14-26(23)24)15-8-2-1-3-9-15/h1-13,19,23,25H,14H2/t19-,23-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.2733 kcal/mol

Physical Properties
Molecular Weight: 350.421 g/mol	logS: -5.58447	SlogP: 4.9541	Reactive groups: 0

Topological Properties
Globularity: 0.0997415	Sterimol/B1: 3.49957	Sterimol/B2: 3.59831	Sterimol/B3: 4.15479
Sterimol/B4: 8.21273	Sterimol/L: 15.6294

Surface and Volume Properties
Accessible surface: 575.334	Positive charged surface: 322.654	Negative charged surface: 249.611	Volume: 340.875
Hydrophobic surface: 519.892	Hydrophilic surface: 55.442

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

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

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Ions/Tautomers related molecules: no related molecules available.