MMsINC Database Search


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MMsINC code: MMs03547108

Type: Neutral
Formula: C₂₄H₁₆O₂

SMILES:

OC1C=Cc2c(cc3c4c2-c2c(-c4cc4c3cccc4)cccc2)C1O

InChI:

InChI=1/C24H16O2/c25-21-10-9-17-20(24(21)26)12-19-14-6-2-1-5-13(14)11-18-15-7-3-4-8-16(15)22(17)23(18)19/h1-12,21,24-26H/t21-,24-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=133.954 kcal/mol

Physical Properties
Molecular Weight: 336.39 g/mol	logS: -8.5446	SlogP: 5.157	Reactive groups: 0

Topological Properties
Globularity: 0.042343	Sterimol/B1: 3.55616	Sterimol/B2: 3.57939	Sterimol/B3: 3.63838
Sterimol/B4: 9.06746	Sterimol/L: 14.3131

Surface and Volume Properties
Accessible surface: 558.427	Positive charged surface: 282.468	Negative charged surface: 230.961	Volume: 322.25
Hydrophobic surface: 454.318	Hydrophilic surface: 104.109

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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.