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MMsINC code: MMs02283254

Type: Neutral
Formula: C₁₇H₂₇NO

SMILES:

OC(C(CN1CCCCC1)C)(CC)c1ccccc1

InChI:

InChI=1/C17H27NO/c1-3-17(19,16-10-6-4-7-11-16)15(2)14-18-12-8-5-9-13-18/h4,6-7,10-11,15,19H,3,5,8-9,12-14H2,1-2H3/t15-,17+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.355 kcal/mol

Physical Properties
Molecular Weight: 261.409 g/mol	logS: -2.74046	SlogP: 3.7177	Reactive groups: 0

Topological Properties
Globularity: 0.119585	Sterimol/B1: 2.20663	Sterimol/B2: 2.30106	Sterimol/B3: 5.00705
Sterimol/B4: 7.1719	Sterimol/L: 14.6647

Surface and Volume Properties
Accessible surface: 508.173	Positive charged surface: 369.026	Negative charged surface: 139.147	Volume: 291.75
Hydrophobic surface: 448.893	Hydrophilic surface: 59.28

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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

MMs02283255
NCID-ZINC01641270