MMsINC Database Search


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MMsINC code: MMs00936680

Type: Neutral
Formula: C₂₆H₂₄N₂O₂

SMILES:

O(C)c1cccc(C(c2c3c([nH]c2C)cccc3)c2c3c([nH]c2C)cccc3)c1O

InChI:

InChI=1/C26H24N2O2/c1-15-23(17-9-4-6-12-20(17)27-15)25(19-11-8-14-22(30-3)26(19)29)24-16(2)28-21-13-7-5-10-18(21)24/h4-14,25,27-29H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=148.296 kcal/mol

Physical Properties
Molecular Weight: 396.49 g/mol	logS: -5.72528	SlogP: 6.16044	Reactive groups: 0

Topological Properties
Globularity: 0.403706	Sterimol/B1: 2.26259	Sterimol/B2: 5.9642	Sterimol/B3: 6.25268
Sterimol/B4: 8.01633	Sterimol/L: 14.1592

Surface and Volume Properties
Accessible surface: 639.258	Positive charged surface: 410.66	Negative charged surface: 226.944	Volume: 389.75
Hydrophobic surface: 541.75	Hydrophilic surface: 97.508

Pharmacophoric Properties
Hydrogen bond donors: 3	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.