MMsINC Database Search


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MMsINC code: MMs02816831

Type: Neutral
Formula: C₂₇H₂₃NO₄

SMILES:

O(Cc1ccccc1)c1cc2c(cc1OC)c1c(nc2)c2cc(OC)c(OC)cc2cc1

InChI:

InChI=1/C27H23NO4/c1-29-23-11-18-9-10-20-21-13-25(31-3)26(32-16-17-7-5-4-6-8-17)12-19(21)15-28-27(20)22(18)14-24(23)30-2/h4-15H,16H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=164.077 kcal/mol

Physical Properties
Molecular Weight: 425.484 g/mol	logS: -7.6986	SlogP: 6.4124	Reactive groups: 0

Topological Properties
Globularity: 0.0190393	Sterimol/B1: 3.61423	Sterimol/B2: 3.62081	Sterimol/B3: 5.14974
Sterimol/B4: 7.31772	Sterimol/L: 22.4147

Surface and Volume Properties
Accessible surface: 746.252	Positive charged surface: 511.234	Negative charged surface: 204.321	Volume: 411.125
Hydrophobic surface: 697.758	Hydrophilic surface: 48.494

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 5	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.