MMsINC Database Search


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MMsINC code: MMs01602970

Type: Neutral
Formula: C₂₅H₂₀O₂

SMILES:

Oc1cc(O)ccc1C(c1ccccc1)(c1ccccc1)c1ccccc1

InChI:

InChI=1/C25H20O2/c26-22-16-17-23(24(27)18-22)25(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-18,26-27H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=178.496 kcal/mol

Physical Properties
Molecular Weight: 352.433 g/mol	logS: -5.74883	SlogP: 5.4805	Reactive groups: 0

Topological Properties
Globularity: 0.819757	Sterimol/B1: 2.43358	Sterimol/B2: 3.31469	Sterimol/B3: 8.05379
Sterimol/B4: 9.21059	Sterimol/L: 12.2549

Surface and Volume Properties
Accessible surface: 574.534	Positive charged surface: 330.374	Negative charged surface: 244.16	Volume: 349.125
Hydrophobic surface: 501.402	Hydrophilic surface: 73.132

Pharmacophoric Properties
Hydrogen bond donors: 2	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.