MMsINC Database Search


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MMsINC code: MMs02840049

Type: Neutral
Formula: C₁₉H₁₆O₂

SMILES:

OC1C=Cc2c(cc(c3c2ccc2c3cccc2)C)C1O

InChI:

InChI=1/C19H16O2/c1-11-10-16-14(8-9-17(20)19(16)21)15-7-6-12-4-2-3-5-13(12)18(11)15/h2-10,17,19-21H,1H3/t17-,19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=124.989 kcal/mol

Physical Properties
Molecular Weight: 276.335 g/mol	logS: -5.81126	SlogP: 3.81802	Reactive groups: 0

Topological Properties
Globularity: 0.0626172	Sterimol/B1: 2.29567	Sterimol/B2: 2.98201	Sterimol/B3: 4.24475
Sterimol/B4: 7.6261	Sterimol/L: 14.2287

Surface and Volume Properties
Accessible surface: 487.331	Positive charged surface: 281.254	Negative charged surface: 187.944	Volume: 270.125
Hydrophobic surface: 382.497	Hydrophilic surface: 104.834

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.