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MMsINC code: MMs00957918

Type: Neutral
Formula: C₂₄H₂₀N₂O₂

SMILES:

O1c2c(cccc2)C(c2c1cccc2)C(=O)NCCn1c2c(cccc2)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.9849 kcal/mol

Physical Properties
Molecular Weight: 368.436 g/mol	logS: -5.76214	SlogP: 4.9617	Reactive groups: 0

Topological Properties
Globularity: 0.122098	Sterimol/B1: 2.25058	Sterimol/B2: 5.84516	Sterimol/B3: 5.9735
Sterimol/B4: 6.11162	Sterimol/L: 16.7017

Surface and Volume Properties
Accessible surface: 647.412	Positive charged surface: 363.451	Negative charged surface: 278.117	Volume: 364.125
Hydrophobic surface: 603.089	Hydrophilic surface: 44.323

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: 0	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.