MMsINC Database Search


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

MMsINC code: MMs02286754

Type: Neutral
Formula: C₁₇H₁₄O

SMILES:

O=C1c2c(CC13Cc1c(C3)cccc1)cccc2

InChI:

InChI=1/C17H14O/c18-16-15-8-4-3-7-14(15)11-17(16)9-12-5-1-2-6-13(12)10-17/h1-8H,9-11H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.1689 kcal/mol

Physical Properties
Molecular Weight: 234.298 g/mol	logS: -3.51794	SlogP: 3.21051	Reactive groups: 0

Topological Properties
Globularity: 0.114769	Sterimol/B1: 3.25677	Sterimol/B2: 3.758	Sterimol/B3: 4.04116
Sterimol/B4: 4.63378	Sterimol/L: 14.28

Surface and Volume Properties
Accessible surface: 455.152	Positive charged surface: 254.581	Negative charged surface: 200.571	Volume: 235.75
Hydrophobic surface: 426.089	Hydrophilic surface: 29.063

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.