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MMsINC code: MMs03043301

Type: Neutral
Formula: C₂₀H₂₄N₂O

SMILES:

O(C)c1cc(c2[nH]c(-c3ccccc3)c(c2c1)CCCCN)C

InChI:

InChI=1/C20H24N2O/c1-14-12-16(23-2)13-18-17(10-6-7-11-21)20(22-19(14)18)15-8-4-3-5-9-15/h3-5,8-9,12-13,22H,6-7,10-11,21H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.499 kcal/mol

Physical Properties
Molecular Weight: 308.425 g/mol	logS: -4.41074	SlogP: 4.43329	Reactive groups: 0

Topological Properties
Globularity: 0.0814956	Sterimol/B1: 2.57524	Sterimol/B2: 3.28176	Sterimol/B3: 4.44184
Sterimol/B4: 8.46906	Sterimol/L: 14.2067

Surface and Volume Properties
Accessible surface: 603.163	Positive charged surface: 429.817	Negative charged surface: 168.621	Volume: 325.375
Hydrophobic surface: 509.99	Hydrophilic surface: 93.173

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs03043302
PUBCHEM-ZINC03689870