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MMsINC code: MMs03025800

Type: Neutral
Formula: C₂₀H₃₂N₂O₃

SMILES:

O(C(OC)CN(C(C(=O)NC1CCCCC1)c1ccc(cc1)C)C)C

InChI:

InChI=1/C20H32N2O3/c1-15-10-12-16(13-11-15)19(22(2)14-18(24-3)25-4)20(23)21-17-8-6-5-7-9-17/h10-13,17-19H,5-9,14H2,1-4H3,(H,21,23)/t19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=115.899 kcal/mol

Physical Properties
Molecular Weight: 348.487 g/mol	logS: -3.53997	SlogP: 3.13122	Reactive groups: 0

Topological Properties
Globularity: 0.0964563	Sterimol/B1: 2.17825	Sterimol/B2: 3.93226	Sterimol/B3: 4.28082
Sterimol/B4: 11.1139	Sterimol/L: 15.9116

Surface and Volume Properties
Accessible surface: 650.322	Positive charged surface: 525.412	Negative charged surface: 124.91	Volume: 367.25
Hydrophobic surface: 622.466	Hydrophilic surface: 27.856

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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

MMs03025801
PUBCHEM-ZINC03625863