MMsINC Database Search


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MMsINC code: MMs01179618

Type: Neutral
Formula: C₂₂H₁₈N₂O₂

SMILES:

o1c2c(cc1C(=O)N(Cc1cc3c(nc1)cccc3)C1CC1)cccc2

InChI:

InChI=1/C22H18N2O2/c25-22(21-12-17-6-2-4-8-20(17)26-21)24(18-9-10-18)14-15-11-16-5-1-3-7-19(16)23-13-15/h1-8,11-13,18H,9-10,14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=123.656 kcal/mol

Physical Properties
Molecular Weight: 342.398 g/mol	logS: -5.93209	SlogP: 5.0522	Reactive groups: 0

Topological Properties
Globularity: 0.148507	Sterimol/B1: 2.10391	Sterimol/B2: 2.43465	Sterimol/B3: 5.13452
Sterimol/B4: 10.9512	Sterimol/L: 14.0703

Surface and Volume Properties
Accessible surface: 580.218	Positive charged surface: 342.219	Negative charged surface: 227.519	Volume: 335.25
Hydrophobic surface: 494.937	Hydrophilic surface: 85.281

Pharmacophoric Properties
Hydrogen bond donors: 0	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.