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MMsINC code: MMs02333232

Type: Neutral
Formula: C₁₉H₂₄N₂O₂

SMILES:

O(C)c1cc2c(cc1OC)CCN(C)C2Cc1ccc(N)cc1

InChI:

InChI=1/C19H24N2O2/c1-21-9-8-14-11-18(22-2)19(23-3)12-16(14)17(21)10-13-4-6-15(20)7-5-13/h4-7,11-12,17H,8-10,20H2,1-3H3/t17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=123.994 kcal/mol

Physical Properties
Molecular Weight: 312.413 g/mol	logS: -3.09121	SlogP: 3.15314	Reactive groups: 0

Topological Properties
Globularity: 0.456799	Sterimol/B1: 2.73325	Sterimol/B2: 4.43161	Sterimol/B3: 4.89838
Sterimol/B4: 8.2826	Sterimol/L: 12.4856

Surface and Volume Properties
Accessible surface: 543.682	Positive charged surface: 435.525	Negative charged surface: 108.157	Volume: 320.25
Hydrophobic surface: 465.012	Hydrophilic surface: 78.67

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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

MMs02333233
NCID-ZINC01704425