MMsINC Database Search


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MMsINC code: MMs02369518

Type: Neutral
Formula: C₃₃H₂₄O₂

SMILES:

O(C(c1ccccc1)c1ccccc1)c1ccc2c(cccc2)c1-c1c2c(ccc1O)cccc2

InChI:

InChI=1/C33H24O2/c34-29-21-19-23-11-7-9-17-27(23)31(29)32-28-18-10-8-12-24(28)20-22-30(32)35-33(25-13-3-1-4-14-25)26-15-5-2-6-16-26/h1-22,33-34H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=157.416 kcal/mol

Physical Properties
Molecular Weight: 452.553 g/mol	logS: -10.7913	SlogP: 8.6295	Reactive groups: 0

Topological Properties
Globularity: 0.285758	Sterimol/B1: 2.82299	Sterimol/B2: 3.47675	Sterimol/B3: 6.45151
Sterimol/B4: 9.7175	Sterimol/L: 13.8742

Surface and Volume Properties
Accessible surface: 730.538	Positive charged surface: 379.307	Negative charged surface: 341.185	Volume: 456.125
Hydrophobic surface: 703.866	Hydrophilic surface: 26.672

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 0

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Ions/Tautomers related molecules: no related molecules available.