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MMsINC code: MMs02847476

Type: Neutral
Formula: C₂₂H₂₆N₂O

SMILES:

O=C1N(c2c(cccc2)C1(C)c1ccccc1)CCN1CCCCC1

InChI:

InChI=1/C22H26N2O/c1-22(18-10-4-2-5-11-18)19-12-6-7-13-20(19)24(21(22)25)17-16-23-14-8-3-9-15-23/h2,4-7,10-13H,3,8-9,14-17H2,1H3/t22-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.5708 kcal/mol

Physical Properties
Molecular Weight: 334.463 g/mol	logS: -4.16112	SlogP: 3.8251	Reactive groups: 0

Topological Properties
Globularity: 0.12709	Sterimol/B1: 2.12869	Sterimol/B2: 5.41438	Sterimol/B3: 5.97347
Sterimol/B4: 6.7237	Sterimol/L: 15.1281

Surface and Volume Properties
Accessible surface: 603.787	Positive charged surface: 406.762	Negative charged surface: 197.025	Volume: 349.125
Hydrophobic surface: 563.154	Hydrophilic surface: 40.633

Pharmacophoric Properties
Hydrogen bond donors: 0	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

MMs02847477
PUBCHEM-ZINC02008127