MMsINC Database Search


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MMsINC code: MMs00723755

Type: Neutral
Formula: C₂₅H₁₉NO

SMILES:

O=C(Nc1ccc(cc1)-c1ccccc1)c1ccccc1-c1ccccc1

InChI:

InChI=1/C25H19NO/c27-25(24-14-8-7-13-23(24)21-11-5-2-6-12-21)26-22-17-15-20(16-18-22)19-9-3-1-4-10-19/h1-18H,(H,26,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=130.054 kcal/mol

Physical Properties
Molecular Weight: 349.433 g/mol	logS: -8.20763	SlogP: 6.2729	Reactive groups: 0

Topological Properties
Globularity: 0.0493451	Sterimol/B1: 3.07497	Sterimol/B2: 3.82548	Sterimol/B3: 5.63281
Sterimol/B4: 6.08864	Sterimol/L: 18.1714

Surface and Volume Properties
Accessible surface: 628.975	Positive charged surface: 330.731	Negative charged surface: 284.771	Volume: 358.75
Hydrophobic surface: 609.79	Hydrophilic surface: 19.185

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: 1

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Ions/Tautomers related molecules: no related molecules available.