MMsINC Database Search


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MMsINC code: MMs02839429

Type: Neutral
Formula: C₁₈H₁₄O₂

SMILES:

OC1C=Cc2c(cc3c(c4c(cc3)cccc4)c2)C1O

InChI:

InChI=1/C18H14O2/c19-17-8-7-13-9-15-12(10-16(13)18(17)20)6-5-11-3-1-2-4-14(11)15/h1-10,17-20H/t17-,18-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.3921 kcal/mol

Physical Properties
Molecular Weight: 262.308 g/mol	logS: -5.33734	SlogP: 3.5096	Reactive groups: 0

Topological Properties
Globularity: 0.0420542	Sterimol/B1: 3.47357	Sterimol/B2: 3.5566	Sterimol/B3: 3.6297
Sterimol/B4: 5.66142	Sterimol/L: 14.2255

Surface and Volume Properties
Accessible surface: 476.483	Positive charged surface: 261.769	Negative charged surface: 192.572	Volume: 256.625
Hydrophobic surface: 371.254	Hydrophilic surface: 105.229

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.