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MMsINC code: MMs00313482

Type: Neutral
Formula: C₂₄H₂₄N₂O

SMILES:

O=C(NCc1ccccc1)c1ccc(cc1)CN1CCc2c(C1)cccc2

InChI:

InChI=1/C24H24N2O/c27-24(25-16-19-6-2-1-3-7-19)22-12-10-20(11-13-22)17-26-15-14-21-8-4-5-9-23(21)18-26/h1-13H,14-18H2,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.0005 kcal/mol

Physical Properties
Molecular Weight: 356.469 g/mol	logS: -5.12213	SlogP: 4.97407	Reactive groups: 0

Topological Properties
Globularity: 0.0574361	Sterimol/B1: 2.68732	Sterimol/B2: 3.95008	Sterimol/B3: 4.92469
Sterimol/B4: 6.98731	Sterimol/L: 17.9767

Surface and Volume Properties
Accessible surface: 666.374	Positive charged surface: 410.395	Negative charged surface: 255.979	Volume: 367
Hydrophobic surface: 611.445	Hydrophilic surface: 54.929

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs00313483
ASINEX-ZINC04165678