MMsINC Database Search


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MMsINC code: MMs00741772

Type: Neutral
Formula: C₂₆H₂₄O₃

SMILES:

O1C(=C\C(=C\c2ccc(OCCCC)cc2)\C1=O)c1cc2c(cc(cc2)C)cc1

InChI:

InChI=1/C26H24O3/c1-3-4-13-28-24-11-6-19(7-12-24)15-23-17-25(29-26(23)27)22-10-9-20-14-18(2)5-8-21(20)16-22/h5-12,14-17H,3-4,13H2,1-2H3/b23-15-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=115.968 kcal/mol

Physical Properties
Molecular Weight: 384.475 g/mol	logS: -8.53672	SlogP: 6.30842	Reactive groups: 0

Topological Properties
Globularity: 0.0097498	Sterimol/B1: 2.46983	Sterimol/B2: 2.78803	Sterimol/B3: 3.0671
Sterimol/B4: 7.77627	Sterimol/L: 23.6832

Surface and Volume Properties
Accessible surface: 716.403	Positive charged surface: 433.152	Negative charged surface: 271.347	Volume: 390.375
Hydrophobic surface: 641.35	Hydrophilic surface: 75.053

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.