MMsINC Database Search


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

MMsINC code: MMs03523221

Type: Neutral
Formula: C₁₈H₁₆O

SMILES:

OC1CCc2c1cc(c1c2ccc2c1cccc2)C

InChI:

InChI=1/C18H16O/c1-11-10-16-14(8-9-17(16)19)15-7-6-12-4-2-3-5-13(12)18(11)15/h2-7,10,17,19H,8-9H2,1H3/t17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.035 kcal/mol

Physical Properties
Molecular Weight: 248.325 g/mol	logS: -5.77122	SlogP: 4.37649	Reactive groups: 0

Topological Properties
Globularity: 0.0435326	Sterimol/B1: 2.22226	Sterimol/B2: 2.52813	Sterimol/B3: 3.73482
Sterimol/B4: 7.65305	Sterimol/L: 13.8579

Surface and Volume Properties
Accessible surface: 460.525	Positive charged surface: 272.364	Negative charged surface: 169.324	Volume: 254.125
Hydrophobic surface: 414.082	Hydrophilic surface: 46.443

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.