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MMsINC code: MMs02038074

Type: Neutral
Formula: C₁₇H₂₇NO₂

SMILES:

O(CC(O)CN1CCC(CC1)C)c1cccc(C)c1C

InChI:

InChI=1/C17H27NO2/c1-13-7-9-18(10-8-13)11-16(19)12-20-17-6-4-5-14(2)15(17)3/h4-6,13,16,19H,7-12H2,1-3H3/t16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.8703 kcal/mol

Physical Properties
Molecular Weight: 277.408 g/mol	logS: -3.03437	SlogP: 2.77504	Reactive groups: 0

Topological Properties
Globularity: 0.0317703	Sterimol/B1: 3.03316	Sterimol/B2: 3.22731	Sterimol/B3: 3.61146
Sterimol/B4: 5.72987	Sterimol/L: 18.1954

Surface and Volume Properties
Accessible surface: 573.251	Positive charged surface: 419.748	Negative charged surface: 153.503	Volume: 300.25
Hydrophobic surface: 508.825	Hydrophilic surface: 64.426

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

MMs02038075
IFLAB-ZINC04305020