MMsINC Database Search


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MMsINC code: MMs02451450

Type: Neutral
Formula: C₂₆H₁₉NO₂

SMILES:

O=C1N(C(Cc2ccccc2)c2ccccc2)C(=O)c2c3c1cccc3ccc2

InChI:

InChI=1/C26H19NO2/c28-25-21-15-7-13-20-14-8-16-22(24(20)21)26(29)27(25)23(19-11-5-2-6-12-19)17-18-9-3-1-4-10-18/h1-16,23H,17H2/t23-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.4 kcal/mol

Physical Properties
Molecular Weight: 377.443 g/mol	logS: -7.40988	SlogP: 5.51527	Reactive groups: 0

Topological Properties
Globularity: 0.224426	Sterimol/B1: 2.41397	Sterimol/B2: 3.88849	Sterimol/B3: 4.95433
Sterimol/B4: 10.4771	Sterimol/L: 14.2063

Surface and Volume Properties
Accessible surface: 597.096	Positive charged surface: 311.035	Negative charged surface: 277.388	Volume: 367.75
Hydrophobic surface: 567.546	Hydrophilic surface: 29.55

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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.