MMsINC Database Search


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MMsINC code: MMs02906597

Type: Neutral
Formula: C₂₄H₃₂O₃

SMILES:

O(C(=O)CCCOc1ccc(cc1)C(CC)(C)C)c1ccc(cc1)CCC

InChI:

InChI=1/C24H32O3/c1-5-8-19-10-14-22(15-11-19)27-23(25)9-7-18-26-21-16-12-20(13-17-21)24(3,4)6-2/h10-17H,5-9,18H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.084 kcal/mol

Physical Properties
Molecular Weight: 368.517 g/mol	logS: -7.69861	SlogP: 6.09127	Reactive groups: 0

Topological Properties
Globularity: 0.0189087	Sterimol/B1: 3.12182	Sterimol/B2: 4.01113	Sterimol/B3: 4.14875
Sterimol/B4: 4.27806	Sterimol/L: 24.7239

Surface and Volume Properties
Accessible surface: 729.152	Positive charged surface: 487.004	Negative charged surface: 242.148	Volume: 396.75
Hydrophobic surface: 612.28	Hydrophilic surface: 116.872

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1

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Ions/Tautomers related molecules: no related molecules available.