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MMsINC code: MMs01791090

Type: Neutral
Formula: C₁₉H₂₄N₂O

SMILES:

O(C)c1cc2c3CCN4C(C5C(CCCC5)C4)c3[nH]c2cc1

InChI:

InChI=1/C19H24N2O/c1-22-13-6-7-17-16(10-13)15-8-9-21-11-12-4-2-3-5-14(12)19(21)18(15)20-17/h6-7,10,12,14,19-20H,2-5,8-9,11H2,1H3/t12-,14-,19-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.3092 kcal/mol

Physical Properties
Molecular Weight: 296.414 g/mol	logS: -3.81772	SlogP: 3.99117	Reactive groups: 0

Topological Properties
Globularity: 0.0414778	Sterimol/B1: 3.23505	Sterimol/B2: 3.34656	Sterimol/B3: 3.97123
Sterimol/B4: 5.5859	Sterimol/L: 17.0647

Surface and Volume Properties
Accessible surface: 536.999	Positive charged surface: 421.077	Negative charged surface: 109.551	Volume: 301.875
Hydrophobic surface: 508.1	Hydrophilic surface: 28.899

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 3

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

MMs01791091
IBS-ZINC02124592