MMsINC Database Search


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MMsINC code: MMs03524210

Type: Neutral
Formula: C₁₀H₁₀O

SMILES:

o1cc(c2cc(ccc12)C)C

InChI:

InChI=1/C10H10O/c1-7-3-4-10-9(5-7)8(2)6-11-10/h3-6H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=27.5815 kcal/mol

Physical Properties
Molecular Weight: 146.189 g/mol	logS: -3.4646	SlogP: 3.04964	Reactive groups: 0

Topological Properties
Globularity: 0.0260232	Sterimol/B1: 2.10431	Sterimol/B2: 2.40664	Sterimol/B3: 2.51231
Sterimol/B4: 5.74489	Sterimol/L: 10.51

Surface and Volume Properties
Accessible surface: 345.283	Positive charged surface: 190.857	Negative charged surface: 148.518	Volume: 155.625
Hydrophobic surface: 332.123	Hydrophilic surface: 13.16

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.