MMsINC Database Search


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MMsINC code: MMs00746035

Type: Neutral
Formula: C₂₀H₂₄O₄

SMILES:

O(CCCCOc1ccc(cc1OC)C=O)c1cc(ccc1C)C

InChI:

InChI=1/C20H24O4/c1-15-6-7-16(2)19(12-15)24-11-5-4-10-23-18-9-8-17(14-21)13-20(18)22-3/h6-9,12-14H,4-5,10-11H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.0515 kcal/mol

Physical Properties
Molecular Weight: 328.408 g/mol	logS: -4.3744	SlogP: 4.36254	Reactive groups: 1

Topological Properties
Globularity: 0.00841791	Sterimol/B1: 2.5128	Sterimol/B2: 2.52427	Sterimol/B3: 2.68841
Sterimol/B4: 7.69468	Sterimol/L: 19.8388

Surface and Volume Properties
Accessible surface: 655.248	Positive charged surface: 461.55	Negative charged surface: 193.699	Volume: 336.625
Hydrophobic surface: 580.525	Hydrophilic surface: 74.723

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.