MMsINC Database Search


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MMsINC code: MMs02995062

Type: Neutral
Formula: C₂₇H₂₄O₄

SMILES:

O(C)c1ccc(cc1)-c1cc(cc(-c2ccc(OC)cc2)c1O)-c1ccc(OC)cc1

InChI:

InChI=1/C27H24O4/c1-29-22-10-4-18(5-11-22)21-16-25(19-6-12-23(30-2)13-7-19)27(28)26(17-21)20-8-14-24(31-3)15-9-20/h4-17,28H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=152.545 kcal/mol

Physical Properties
Molecular Weight: 412.485 g/mol	logS: -8.45321	SlogP: 6.419	Reactive groups: 0

Topological Properties
Globularity: 0.0475134	Sterimol/B1: 3.46636	Sterimol/B2: 3.49823	Sterimol/B3: 4.26347
Sterimol/B4: 12.0114	Sterimol/L: 18.8899

Surface and Volume Properties
Accessible surface: 724.1	Positive charged surface: 474.045	Negative charged surface: 229.696	Volume: 410.25
Hydrophobic surface: 669.302	Hydrophilic surface: 54.798

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.