MMsINC Database Search


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MMsINC code: MMs01820838

Type: Neutral
Formula: C₂₇H₂₂N₂O

SMILES:

OC(Cn1c2c(c3c1cccc3)cccc2)Cn1c2c(c3c1cccc3)cccc2

InChI:

InChI=1/C27H22N2O/c30-19(17-28-24-13-5-1-9-20(24)21-10-2-6-14-25(21)28)18-29-26-15-7-3-11-22(26)23-12-4-8-16-27(23)29/h1-16,19,30H,17-18H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.9424 kcal/mol

Physical Properties
Molecular Weight: 390.486 g/mol	logS: -7.03786	SlogP: 6.4963	Reactive groups: 0

Topological Properties
Globularity: 0.0824407	Sterimol/B1: 2.26232	Sterimol/B2: 3.01293	Sterimol/B3: 4.67071
Sterimol/B4: 8.91014	Sterimol/L: 14.808

Surface and Volume Properties
Accessible surface: 655.566	Positive charged surface: 335.014	Negative charged surface: 298	Volume: 392.25
Hydrophobic surface: 639.713	Hydrophilic surface: 15.853

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.