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MMsINC code: MMs00572154

Type: Neutral
Formula: C₂₇H₂₂N₂O

SMILES:

O=C(Nc1cc(ccc1)\C=C\c1ccncc1)C(c1ccccc1)c1ccccc1

InChI:

InChI=1/C27H22N2O/c30-27(26(23-9-3-1-4-10-23)24-11-5-2-6-12-24)29-25-13-7-8-22(20-25)15-14-21-16-18-28-19-17-21/h1-20,26H,(H,29,30)/b15-14+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=141.542 kcal/mol

Physical Properties
Molecular Weight: 390.486 g/mol	logS: -6.67484	SlogP: 6.0226	Reactive groups: 0

Topological Properties
Globularity: 0.0560668	Sterimol/B1: 3.2165	Sterimol/B2: 3.71814	Sterimol/B3: 4.7805
Sterimol/B4: 9.12109	Sterimol/L: 18.9364

Surface and Volume Properties
Accessible surface: 699.922	Positive charged surface: 415.133	Negative charged surface: 284.789	Volume: 400
Hydrophobic surface: 656.947	Hydrophilic surface: 42.975

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.