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MMsINC code: MMs02168401

Type: Neutral
Formula: C₂₇H₂₆N₂O₂

SMILES:

O=C1N(CCCCN2CCC(=CC2)c2ccccc2)C(=O)c2c3c1cccc3ccc2

InChI:

InChI=1/C27H26N2O2/c30-26-23-12-6-10-22-11-7-13-24(25(22)23)27(31)29(26)17-5-4-16-28-18-14-21(15-19-28)20-8-2-1-3-9-20/h1-3,6-14H,4-5,15-19H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.7244 kcal/mol

Physical Properties
Molecular Weight: 410.517 g/mol	logS: -6.42811	SlogP: 5.0053	Reactive groups: 0

Topological Properties
Globularity: 0.0265891	Sterimol/B1: 2.66592	Sterimol/B2: 4.51167	Sterimol/B3: 4.77107
Sterimol/B4: 4.97601	Sterimol/L: 22.7782

Surface and Volume Properties
Accessible surface: 720.011	Positive charged surface: 450.865	Negative charged surface: 257.819	Volume: 410.25
Hydrophobic surface: 643.795	Hydrophilic surface: 76.216

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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

MMs02168402
MAYBRIDGE-ZINC04336084