MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs03540756

Type: Neutral
Formula: C₂₀H₁₄O₃

SMILES:

OC1c2c3c4c(cccc4ccc3c3cc(O)ccc3c2)C1O

InChI:

InChI=1/C20H14O3/c21-12-6-4-11-8-16-18-13(15(11)9-12)7-5-10-2-1-3-14(17(10)18)19(22)20(16)23/h1-9,19-23H/t19-,20+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=114.334 kcal/mol

Physical Properties
Molecular Weight: 302.329 g/mol	logS: -6.34745	SlogP: 4.1232	Reactive groups: 0

Topological Properties
Globularity: 0.0344109	Sterimol/B1: 3.02507	Sterimol/B2: 3.55325	Sterimol/B3: 3.89526
Sterimol/B4: 6.82918	Sterimol/L: 14.107

Surface and Volume Properties
Accessible surface: 491.294	Positive charged surface: 264.072	Negative charged surface: 195.798	Volume: 280.875
Hydrophobic surface: 357.748	Hydrophilic surface: 133.546

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 2

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.