MMsINC Database Search


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MMsINC code: MMs02821950

Type: Neutral
Formula: C₂₀H₁₆O₂

SMILES:

Oc1c2c(c3c(cc2)c(c2c(cccc2)c3C)C)ccc1O

InChI:

InChI=1/C20H16O2/c1-11-13-5-3-4-6-14(13)12(2)19-15(11)7-8-17-16(19)9-10-18(21)20(17)22/h3-10,21-22H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=141.665 kcal/mol

Physical Properties
Molecular Weight: 288.346 g/mol	logS: -7.24246	SlogP: 5.17424	Reactive groups: 0

Topological Properties
Globularity: 0.0251188	Sterimol/B1: 2.16062	Sterimol/B2: 2.60472	Sterimol/B3: 3.3182
Sterimol/B4: 7.69363	Sterimol/L: 14.8937

Surface and Volume Properties
Accessible surface: 493.748	Positive charged surface: 267.36	Negative charged surface: 197.751	Volume: 283.375
Hydrophobic surface: 402.848	Hydrophilic surface: 90.9

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.