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MMsINC code: MMs02448347

Type: Neutral
Formula: C₂₄H₃₇NO₃

SMILES:

O(CCOCCN(CC=C(C)C)CC=C(C)C)c1ccc(cc1OC)CC=C

InChI:

InChI=1/C24H37NO3/c1-7-8-22-9-10-23(24(19-22)26-6)28-18-17-27-16-15-25(13-11-20(2)3)14-12-21(4)5/h7,9-12,19H,1,8,13-18H2,2-6H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.143 kcal/mol

Physical Properties
Molecular Weight: 387.564 g/mol	logS: -5.31184	SlogP: 5.05347	Reactive groups: 0

Topological Properties
Globularity: 0.0880242	Sterimol/B1: 3.25716	Sterimol/B2: 4.03038	Sterimol/B3: 5.43132
Sterimol/B4: 8.21181	Sterimol/L: 19.9361

Surface and Volume Properties
Accessible surface: 791.074	Positive charged surface: 589.409	Negative charged surface: 201.665	Volume: 431.75
Hydrophobic surface: 703.943	Hydrophilic surface: 87.131

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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

MMs02448348
NCID-ZINC05202804