MMsINC Database Search


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MMsINC code: MMs02256051

Type: Neutral
Formula: C₃₀H₂₀O₂

SMILES:

OC(C(=O)c1c2c(cc3c1cccc3)cccc2)c1c2c(cc3c1cccc3)cccc2

InChI:

InChI=1/C30H20O2/c31-29(27-23-13-5-1-9-19(23)17-20-10-2-6-14-24(20)27)30(32)28-25-15-7-3-11-21(25)18-22-12-4-8-16-26(22)28/h1-18,29,31H/t29-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=174.462 kcal/mol

Physical Properties
Molecular Weight: 412.488 g/mol	logS: -10.7667	SlogP: 7.3112	Reactive groups: 0

Topological Properties
Globularity: 0.398136	Sterimol/B1: 3.09016	Sterimol/B2: 4.74503	Sterimol/B3: 6.60367
Sterimol/B4: 8.80561	Sterimol/L: 14.9225

Surface and Volume Properties
Accessible surface: 615.381	Positive charged surface: 299.26	Negative charged surface: 293.382	Volume: 402.5
Hydrophobic surface: 559.866	Hydrophilic surface: 55.515

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.