MMsINC Database Search


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MMsINC code: MMs00261562

Type: Neutral
Formula: C₂₅H₁₉NO₂

SMILES:

O(C)c1cc2c(cc1C(=O)Nc1cc3Cc4c(-c3cc1)cccc4)cccc2

InChI:

InChI=1/C25H19NO2/c1-28-24-15-17-7-3-2-6-16(17)14-23(24)25(27)26-20-10-11-22-19(13-20)12-18-8-4-5-9-21(18)22/h2-11,13-15H,12H2,1H3,(H,26,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=132.511 kcal/mol

Physical Properties
Molecular Weight: 365.432 g/mol	logS: -8.18039	SlogP: 5.67187	Reactive groups: 0

Topological Properties
Globularity: 0.0171582	Sterimol/B1: 2.30625	Sterimol/B2: 2.34856	Sterimol/B3: 4.07932
Sterimol/B4: 8.37097	Sterimol/L: 20.178

Surface and Volume Properties
Accessible surface: 644.821	Positive charged surface: 382.876	Negative charged surface: 238.568	Volume: 360.875
Hydrophobic surface: 609.347	Hydrophilic surface: 35.474

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: 0

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Ions/Tautomers related molecules: no related molecules available.