MMsINC Database Search


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MMsINC code: MMs02232420

Type: Neutral
Formula: C₂₃H₃₂O₂

SMILES:

O(C)c1ccc(cc1)C(C)c1cc(cc(C(C)(C)C)c1O)C(C)(C)C

InChI:

InChI=1/C23H32O2/c1-15(16-9-11-18(25-8)12-10-16)19-13-17(22(2,3)4)14-20(21(19)24)23(5,6)7/h9-15,24H,1-8H3/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=132.681 kcal/mol

Physical Properties
Molecular Weight: 340.507 g/mol	logS: -7.11717	SlogP: 6.1476	Reactive groups: 0

Topological Properties
Globularity: 0.204149	Sterimol/B1: 2.10164	Sterimol/B2: 4.04321	Sterimol/B3: 6.93789
Sterimol/B4: 7.01216	Sterimol/L: 15.4276

Surface and Volume Properties
Accessible surface: 617.428	Positive charged surface: 433.564	Negative charged surface: 183.864	Volume: 372.5
Hydrophobic surface: 473.025	Hydrophilic surface: 144.403

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.