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MMsINC code: MMs02903063

Type: Neutral
Formula: C₂₈H₃₂O₂

SMILES:

OC(=O)CCCCCCCCCCCc1c2c3c4c(cc2)cccc4ccc3cc1

InChI:

InChI=1/C28H32O2/c29-26(30)14-9-7-5-3-1-2-4-6-8-11-21-15-16-24-18-17-22-12-10-13-23-19-20-25(21)28(24)27(22)23/h10,12-13,15-20H,1-9,11,14H2,(H,29,30)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.588 kcal/mol

Physical Properties
Molecular Weight: 400.562 g/mol	logS: -11.0198	SlogP: 8.11207	Reactive groups: 0

Topological Properties
Globularity: 0.0266851	Sterimol/B1: 2.50568	Sterimol/B2: 3.56105	Sterimol/B3: 3.92036
Sterimol/B4: 8.14834	Sterimol/L: 25.144

Surface and Volume Properties
Accessible surface: 773.243	Positive charged surface: 495.019	Negative charged surface: 245.825	Volume: 426.375
Hydrophobic surface: 674.379	Hydrophilic surface: 98.864

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules

MMs02903064
PUBCHEM-ZINC02572088