MMsINC Database Search


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MMsINC code: MMs00747530

Type: Neutral
Formula: C₂₇H₂₃NO₂

SMILES:

O(Cc1ccccc1)c1ccc(OCCn2c3c(c4c2cccc4)cccc3)cc1

InChI:

InChI=1/C27H23NO2/c1-2-8-21(9-3-1)20-30-23-16-14-22(15-17-23)29-19-18-28-26-12-6-4-10-24(26)25-11-5-7-13-27(25)28/h1-17H,18-20H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.01 kcal/mol

Physical Properties
Molecular Weight: 393.486 g/mol	logS: -7.07847	SlogP: 6.9853	Reactive groups: 0

Topological Properties
Globularity: 0.077861	Sterimol/B1: 2.68702	Sterimol/B2: 5.96365	Sterimol/B3: 5.96853
Sterimol/B4: 6.58239	Sterimol/L: 20.031

Surface and Volume Properties
Accessible surface: 719.531	Positive charged surface: 396.098	Negative charged surface: 312.149	Volume: 402
Hydrophobic surface: 703.873	Hydrophilic surface: 15.658

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.