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MMsINC code: MMs00848991

Type: Neutral
Formula: C₁₉H₂₈N₂O₂

SMILES:

O1CCN(CC1)C(C(=O)NC1CCCCC1)c1ccc(cc1)C

InChI:

InChI=1/C19H28N2O2/c1-15-7-9-16(10-8-15)18(21-11-13-23-14-12-21)19(22)20-17-5-3-2-4-6-17/h7-10,17-18H,2-6,11-14H2,1H3,(H,20,22)/t18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.7085 kcal/mol

Physical Properties
Molecular Weight: 316.445 g/mol	logS: -3.66544	SlogP: 2.91272	Reactive groups: 0

Topological Properties
Globularity: 0.0851145	Sterimol/B1: 2.30831	Sterimol/B2: 3.14293	Sterimol/B3: 4.13644
Sterimol/B4: 10.839	Sterimol/L: 14.5317

Surface and Volume Properties
Accessible surface: 596.979	Positive charged surface: 454.59	Negative charged surface: 142.389	Volume: 330.875
Hydrophobic surface: 560.312	Hydrophilic surface: 36.667

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

MMs00848992
CHEMDIV-ZINC00270380