MMsINC Database Search


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MMsINC code: MMs02378616

Type: Neutral
Formula: C₁₀H₁₀O

SMILES:

OC1(C=Cc2c1cccc2)C

InChI:

InChI=1/C10H10O/c1-10(11)7-6-8-4-2-3-5-9(8)10/h2-7,11H,1H3/t10-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=34.8648 kcal/mol

Physical Properties
Molecular Weight: 146.189 g/mol	logS: -2.11133	SlogP: 2.2324	Reactive groups: 0

Topological Properties
Globularity: 0.117602	Sterimol/B1: 2.43919	Sterimol/B2: 2.96681	Sterimol/B3: 4.18241
Sterimol/B4: 5.40446	Sterimol/L: 10.03

Surface and Volume Properties
Accessible surface: 336.096	Positive charged surface: 197.867	Negative charged surface: 138.229	Volume: 155.125
Hydrophobic surface: 262.212	Hydrophilic surface: 73.884

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

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Ions/Tautomers related molecules: no related molecules available.