MMsINC Database Search


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MMsINC code: MMs00749095

Type: Neutral
Formula: C₂₅H₁₇NO₂

SMILES:

o1c2cc(NC(=O)c3ccccc3-c3ccccc3)ccc2c2c1cccc2

InChI:

InChI=1/C25H17NO2/c27-25(22-12-5-4-10-19(22)17-8-2-1-3-9-17)26-18-14-15-21-20-11-6-7-13-23(20)28-24(21)16-18/h1-16H,(H,26,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.977 kcal/mol

Physical Properties
Molecular Weight: 363.416 g/mol	logS: -9.07326	SlogP: 6.5053	Reactive groups: 0

Topological Properties
Globularity: 0.0389859	Sterimol/B1: 2.54442	Sterimol/B2: 3.19155	Sterimol/B3: 3.71761
Sterimol/B4: 9.44256	Sterimol/L: 18.0488

Surface and Volume Properties
Accessible surface: 627.874	Positive charged surface: 341.474	Negative charged surface: 272.771	Volume: 355.625
Hydrophobic surface: 600.259	Hydrophilic surface: 27.615

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