MMsINC Database Search


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MMsINC code: MMs03961347

Type: Neutral
Formula: C₂₄H₂₀N₂O₂

SMILES:

O=C1N(CCO)C(c2c1cccc2)c1c2c([nH]c1-c1ccccc1)cccc2

InChI:

InChI=1/C24H20N2O2/c27-15-14-26-23(17-10-4-5-11-18(17)24(26)28)21-19-12-6-7-13-20(19)25-22(21)16-8-2-1-3-9-16/h1-13,23,25,27H,14-15H2/t23-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.91 kcal/mol

Physical Properties
Molecular Weight: 368.436 g/mol	logS: -5.79786	SlogP: 4.4679	Reactive groups: 0

Topological Properties
Globularity: 0.401037	Sterimol/B1: 4.48056	Sterimol/B2: 4.87894	Sterimol/B3: 5.36099
Sterimol/B4: 6.69784	Sterimol/L: 13.5011

Surface and Volume Properties
Accessible surface: 588.267	Positive charged surface: 341.29	Negative charged surface: 245.845	Volume: 359
Hydrophobic surface: 506.855	Hydrophilic surface: 81.412

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.