MMsINC Database Search


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MMsINC code: MMs03524661

Type: Neutral
Formula: C₁₉H₁₆O₂

SMILES:

OC1c2c(-c3c(cccc3)C1O)cc1c(c2)cccc1C

InChI:

InChI=1/C19H16O2/c1-11-5-4-6-12-9-17-16(10-15(11)12)13-7-2-3-8-14(13)18(20)19(17)21/h2-10,18-21H,1H3/t18-,19-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.0979 kcal/mol

Physical Properties
Molecular Weight: 276.335 g/mol	logS: -5.85394	SlogP: 4.08662	Reactive groups: 0

Topological Properties
Globularity: 0.0597227	Sterimol/B1: 2.5835	Sterimol/B2: 3.59776	Sterimol/B3: 3.7592
Sterimol/B4: 7.20618	Sterimol/L: 13.7004

Surface and Volume Properties
Accessible surface: 490.145	Positive charged surface: 276.277	Negative charged surface: 196.305	Volume: 272.375
Hydrophobic surface: 400.767	Hydrophilic surface: 89.378

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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

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Ions/Tautomers related molecules: no related molecules available.