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MMsINC code: MMs02707784

Type: Neutral
Formula: C₁₈H₂₅NO₃

SMILES:

O(C)c1cccc(OC)c1\C=C\C(=O)NC1CCCCCC1

InChI:

InChI=1/C18H25NO3/c1-21-16-10-7-11-17(22-2)15(16)12-13-18(20)19-14-8-5-3-4-6-9-14/h7,10-14H,3-6,8-9H2,1-2H3,(H,19,20)/b13-12+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.0226 kcal/mol

Physical Properties
Molecular Weight: 303.402 g/mol	logS: -4.12395	SlogP: 3.556	Reactive groups: 0

Topological Properties
Globularity: 0.0315467	Sterimol/B1: 2.471	Sterimol/B2: 3.1581	Sterimol/B3: 3.19186
Sterimol/B4: 9.21801	Sterimol/L: 16.8468

Surface and Volume Properties
Accessible surface: 593.646	Positive charged surface: 458.569	Negative charged surface: 135.077	Volume: 312.375
Hydrophobic surface: 544.497	Hydrophilic surface: 49.149

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 0

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: no related molecules available.