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MMsINC code: MMs02848644

Type: Neutral
Formula: C₁₇H₂₃NO₂

SMILES:

O(C)c1cc2c(cc1)C(=O)C(CC2)CN1CCCCC1

InChI:

InChI=1/C17H23NO2/c1-20-15-7-8-16-13(11-15)5-6-14(17(16)19)12-18-9-3-2-4-10-18/h7-8,11,14H,2-6,9-10,12H2,1H3/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.4376 kcal/mol

Physical Properties
Molecular Weight: 273.376 g/mol	logS: -2.84778	SlogP: 2.92617	Reactive groups: 0

Topological Properties
Globularity: 0.0542685	Sterimol/B1: 3.57209	Sterimol/B2: 3.59549	Sterimol/B3: 3.61032
Sterimol/B4: 4.47765	Sterimol/L: 17.2047

Surface and Volume Properties
Accessible surface: 523.945	Positive charged surface: 404.122	Negative charged surface: 119.823	Volume: 283.5
Hydrophobic surface: 482.625	Hydrophilic surface: 41.32

Pharmacophoric Properties
Hydrogen bond donors: 0	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

MMs02848645
PUBCHEM-ZINC02010254