MMsINC Database Search


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MMsINC code: MMs02882583

Type: Neutral
Formula: C₃₀H₂₂O₂

SMILES:

O(C)c1c2c(c3c(cccc3)c1-c1c3c(c4c(cccc4)c1OC)cccc3)cccc2

InChI:

InChI=1/C30H22O2/c1-31-29-25-17-9-5-13-21(25)19-11-3-7-15-23(19)27(29)28-24-16-8-4-12-20(24)22-14-6-10-18-26(22)30(28)32-2/h3-18H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=174.95 kcal/mol

Physical Properties
Molecular Weight: 414.504 g/mol	logS: -11.4235	SlogP: 7.9836	Reactive groups: 0

Topological Properties
Globularity: 0.315823	Sterimol/B1: 2.18218	Sterimol/B2: 4.66527	Sterimol/B3: 5.91791
Sterimol/B4: 8.46297	Sterimol/L: 16.4083

Surface and Volume Properties
Accessible surface: 639.564	Positive charged surface: 369.15	Negative charged surface: 243.884	Volume: 413
Hydrophobic surface: 632.464	Hydrophilic surface: 7.0999999999999

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 0

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Ions/Tautomers related molecules: no related molecules available.