MMsINC Database Search


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MMsINC code: MMs02378996

Type: Neutral
Formula: C₁₉H₁₆O₂

SMILES:

OC1c2c(-c3c(cccc3)C1O)cc1c(cccc1)c2C

InChI:

InChI=1/C19H16O2/c1-11-13-7-3-2-6-12(13)10-16-14-8-4-5-9-15(14)18(20)19(21)17(11)16/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)=104.677 kcal/mol

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

Topological Properties
Globularity: 0.0574732	Sterimol/B1: 2.10524	Sterimol/B2: 3.28882	Sterimol/B3: 3.96888
Sterimol/B4: 7.42526	Sterimol/L: 14.2376

Surface and Volume Properties
Accessible surface: 482.687	Positive charged surface: 265.146	Negative charged surface: 199.907	Volume: 270.5
Hydrophobic surface: 397.166	Hydrophilic surface: 85.521

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.