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MMsINC code: MMs00884791

Type: Neutral
Formula: C₂₅H₂₆N₂O₃

SMILES:

O(CCN(C(=O)c1ccccc1)CC(O)Cn1c2c(c3c1cccc3)cccc2)C

InChI:

InChI=1/C25H26N2O3/c1-30-16-15-26(25(29)19-9-3-2-4-10-19)17-20(28)18-27-23-13-7-5-11-21(23)22-12-6-8-14-24(22)27/h2-14,20,28H,15-18H2,1H3/t20-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=131.874 kcal/mol

Physical Properties
Molecular Weight: 402.494 g/mol	logS: -5.19005	SlogP: 4.2106	Reactive groups: 0

Topological Properties
Globularity: 0.0527261	Sterimol/B1: 3.21476	Sterimol/B2: 3.74569	Sterimol/B3: 3.90075
Sterimol/B4: 9.2265	Sterimol/L: 16.254

Surface and Volume Properties
Accessible surface: 650.91	Positive charged surface: 405.286	Negative charged surface: 236.103	Volume: 400.625
Hydrophobic surface: 606.711	Hydrophilic surface: 44.199

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.