MMsINC Database Search


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MMsINC code: MMs03171366

Type: Neutral
Formula: C₁₇H₁₆O

SMILES:

O=Cc1c2CCc3ccc(CCc(c1)cc2)cc3

InChI:

InChI=1/C17H16O/c18-12-17-11-15-6-5-13-1-3-14(4-2-13)7-9-16(17)10-8-15/h1-4,8,10-12H,5-7,9H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=249.129 kcal/mol

Physical Properties
Molecular Weight: 236.314 g/mol	logS: -4.72809	SlogP: 3.38278	Reactive groups: 1

Topological Properties
Globularity: 0.283216	Sterimol/B1: 2.63544	Sterimol/B2: 3.01007	Sterimol/B3: 4.28922
Sterimol/B4: 6.96314	Sterimol/L: 10.0166

Surface and Volume Properties
Accessible surface: 393.377	Positive charged surface: 244.991	Negative charged surface: 148.386	Volume: 231.625
Hydrophobic surface: 342.655	Hydrophilic surface: 50.722

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

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Ions/Tautomers related molecules: no related molecules available.