MMsINC Database Search


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MMsINC code: MMs00669752

Type: Neutral
Formula: C₂₅H₁₉NO₂

SMILES:

O=C(c1cc(NC(=O)Cc2cc3c(cc2)cccc3)ccc1)c1ccccc1

InChI:

InChI=1/C25H19NO2/c27-24(16-18-13-14-19-7-4-5-10-21(19)15-18)26-23-12-6-11-22(17-23)25(28)20-8-2-1-3-9-20/h1-15,17H,16H2,(H,26,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=133.958 kcal/mol

Physical Properties
Molecular Weight: 365.432 g/mol	logS: -7.36703	SlogP: 5.25197	Reactive groups: 0

Topological Properties
Globularity: 0.0530464	Sterimol/B1: 2.45139	Sterimol/B2: 3.47874	Sterimol/B3: 4.39698
Sterimol/B4: 8.03242	Sterimol/L: 19.6746

Surface and Volume Properties
Accessible surface: 652.716	Positive charged surface: 354.292	Negative charged surface: 287.584	Volume: 363.5
Hydrophobic surface: 580.18	Hydrophilic surface: 72.536

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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: 1

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Ions/Tautomers related molecules: no related molecules available.