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MMsINC code: MMs02846654

Type: Neutral
Formula: C₁₉H₂₂N₂O

SMILES:

O(C)c1cc2n(c3c(c2cc1)cccc3)CCN1CCCC1

InChI:

InChI=1/C19H22N2O/c1-22-15-8-9-17-16-6-2-3-7-18(16)21(19(17)14-15)13-12-20-10-4-5-11-20/h2-3,6-9,14H,4-5,10-13H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.0525 kcal/mol

Physical Properties
Molecular Weight: 294.398 g/mol	logS: -3.91612	SlogP: 4.1653	Reactive groups: 0

Topological Properties
Globularity: 0.0553423	Sterimol/B1: 2.55315	Sterimol/B2: 3.24337	Sterimol/B3: 3.29967
Sterimol/B4: 11.3277	Sterimol/L: 13.746

Surface and Volume Properties
Accessible surface: 560.571	Positive charged surface: 390.569	Negative charged surface: 158.554	Volume: 305.25
Hydrophobic surface: 546.597	Hydrophilic surface: 13.974

Pharmacophoric Properties
Hydrogen bond donors: 0	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

MMs02846655
PUBCHEM-ZINC02006659