MMsINC Database Search


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MMsINC code: MMs02906779

Type: Neutral
Formula: C₂₄H₃₂O₃

SMILES:

O(C(=O)CCCOc1cc(C)c(cc1)C(C)C)c1ccc(cc1)C(C)(C)C

InChI:

InChI=1/C24H32O3/c1-17(2)22-14-13-21(16-18(22)3)26-15-7-8-23(25)27-20-11-9-19(10-12-20)24(4,5)6/h9-14,16-17H,7-8,15H2,1-6H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.832 kcal/mol

Physical Properties
Molecular Weight: 368.517 g/mol	logS: -7.65731	SlogP: 6.18052	Reactive groups: 0

Topological Properties
Globularity: 0.0259944	Sterimol/B1: 2.41968	Sterimol/B2: 3.19159	Sterimol/B3: 4.06322
Sterimol/B4: 6.17194	Sterimol/L: 22.7516

Surface and Volume Properties
Accessible surface: 717.354	Positive charged surface: 475.858	Negative charged surface: 241.496	Volume: 396
Hydrophobic surface: 588.564	Hydrophilic surface: 128.79

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.