MMsINC Database Search


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MMsINC code: MMs02855289

Type: Neutral
Formula: C₂₀H₁₄O₂

SMILES:

OC1C=Cc2c(cc3c4c5c(ccc24)cccc5cc3)C1O

InChI:

InChI=1/C20H14O2/c21-17-9-8-14-15-7-6-12-3-1-2-11-4-5-13(19(15)18(11)12)10-16(14)20(17)22/h1-10,17,20-22H/t17-,20+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.3439 kcal/mol

Physical Properties
Molecular Weight: 286.33 g/mol	logS: -6.66672	SlogP: 4.1006	Reactive groups: 0

Topological Properties
Globularity: 0.0310447	Sterimol/B1: 3.20119	Sterimol/B2: 3.34027	Sterimol/B3: 4.48144
Sterimol/B4: 5.53954	Sterimol/L: 14.1976

Surface and Volume Properties
Accessible surface: 484.985	Positive charged surface: 262.953	Negative charged surface: 188.818	Volume: 272.5
Hydrophobic surface: 389.029	Hydrophilic surface: 95.956

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.