MMsINC Database Search


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MMsINC code: MMs01175954

Type: Neutral
Formula: C₂₅H₂₂N₂O

SMILES:

O=C(N(Cc1ccccc1)CCc1ccccc1)c1nc2c(cc1)cccc2

InChI:

InChI=1/C25H22N2O/c28-25(24-16-15-22-13-7-8-14-23(22)26-24)27(19-21-11-5-2-6-12-21)18-17-20-9-3-1-4-10-20/h1-16H,17-19H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=140.083 kcal/mol

Physical Properties
Molecular Weight: 366.464 g/mol	logS: -5.76375	SlogP: 5.38627	Reactive groups: 0

Topological Properties
Globularity: 0.112651	Sterimol/B1: 2.62	Sterimol/B2: 3.91021	Sterimol/B3: 3.92568
Sterimol/B4: 10.6231	Sterimol/L: 15.29

Surface and Volume Properties
Accessible surface: 602.03	Positive charged surface: 329.782	Negative charged surface: 266.84	Volume: 374.125
Hydrophobic surface: 561.229	Hydrophilic surface: 40.801

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: 1

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Ions/Tautomers related molecules: no related molecules available.