MMsINC Database Search


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

MMsINC code: MMs02856096

Type: Neutral
Formula: C₁₉H₁₂O

SMILES:

O1c2c3c(c4c(cc5c(cccc5)c4C)cc3)ccc12

InChI:

InChI=1/C19H12O/c1-11-14-5-3-2-4-12(14)10-13-6-7-16-15(18(11)13)8-9-17-19(16)20-17/h2-10H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=219.593 kcal/mol

Physical Properties
Molecular Weight: 256.304 g/mol	logS: -7.62965	SlogP: 5.56032	Reactive groups: 0

Topological Properties
Globularity: 0.0221817	Sterimol/B1: 2.01644	Sterimol/B2: 2.06737	Sterimol/B3: 3.15613
Sterimol/B4: 7.37695	Sterimol/L: 14.3843

Surface and Volume Properties
Accessible surface: 451.463	Positive charged surface: 233.879	Negative charged surface: 188.254	Volume: 256.25
Hydrophobic surface: 451.463	Hydrophilic surface: 0

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.