MMsINC Database Search


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MMsINC code: MMs01173371

Type: Neutral
Formula: C₂₇H₂₆N₂O₂

SMILES:

O(C)c1cc(ccc1)C(=O)N(Cc1ccccc1)Cc1n(ccc1)Cc1ccccc1

InChI:

InChI=1/C27H26N2O2/c1-31-26-16-8-14-24(18-26)27(30)29(20-23-12-6-3-7-13-23)21-25-15-9-17-28(25)19-22-10-4-2-5-11-22/h2-18H,19-21H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=161.281 kcal/mol

Physical Properties
Molecular Weight: 410.517 g/mol	logS: -5.26925	SlogP: 6.1868	Reactive groups: 0

Topological Properties
Globularity: 0.289417	Sterimol/B1: 2.54302	Sterimol/B2: 4.18626	Sterimol/B3: 6.18077
Sterimol/B4: 11.9092	Sterimol/L: 14.7597

Surface and Volume Properties
Accessible surface: 679.345	Positive charged surface: 415.517	Negative charged surface: 263.828	Volume: 419.5
Hydrophobic surface: 613.784	Hydrophilic surface: 65.561

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: 1

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Ions/Tautomers related molecules: no related molecules available.