MMsINC Database Search


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MMsINC code: MMs03807340

Type: Neutral
Formula: C₂₀H₂₄O₃

SMILES:

OC1C(O)(CCCC1(O)Cc1ccccc1)Cc1ccccc1

InChI:

InChI=1/C20H24O3/c21-18-19(22,14-16-8-3-1-4-9-16)12-7-13-20(18,23)15-17-10-5-2-6-11-17/h1-6,8-11,18,21-23H,7,12-15H2/t19-,20-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=126.79 kcal/mol

Physical Properties
Molecular Weight: 312.409 g/mol	logS: -3.39581	SlogP: 2.47874	Reactive groups: 0

Topological Properties
Globularity: 0.135715	Sterimol/B1: 2.8043	Sterimol/B2: 3.8914	Sterimol/B3: 4.21008
Sterimol/B4: 6.04757	Sterimol/L: 15.8285

Surface and Volume Properties
Accessible surface: 534.908	Positive charged surface: 330.454	Negative charged surface: 204.454	Volume: 314.625
Hydrophobic surface: 461.367	Hydrophilic surface: 73.541

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 2

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.