MMsINC Database Search


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MMsINC code: MMs03523242

Type: Neutral
Formula: C₁₉H₁₆O₂

SMILES:

OC1C=Cc2c(cc(c3c2cc2c(c3)cccc2)C)C1O

InChI:

InChI=1/C19H16O2/c1-11-8-17-14(6-7-18(20)19(17)21)16-10-13-5-3-2-4-12(13)9-15(11)16/h2-10,18-21H,1H3/t18-,19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.8164 kcal/mol

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

Topological Properties
Globularity: 0.0459157	Sterimol/B1: 2.06582	Sterimol/B2: 3.51455	Sterimol/B3: 3.60262
Sterimol/B4: 8.17607	Sterimol/L: 14.2069

Surface and Volume Properties
Accessible surface: 495.857	Positive charged surface: 284.368	Negative charged surface: 189.966	Volume: 275
Hydrophobic surface: 391.434	Hydrophilic surface: 104.423

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.