MMsINC Database Search


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MMsINC code: MMs02389541

Type: Neutral
Formula: C₂₅H₃₀N₂O₂

SMILES:

O(C)c1cc(N(C)C)ccc1C(c1ccc(N(C)C)cc1OC)c1ccccc1

InChI:

InChI=1/C25H30N2O2/c1-26(2)19-12-14-21(23(16-19)28-5)25(18-10-8-7-9-11-18)22-15-13-20(27(3)4)17-24(22)29-6/h7-17,25H,1-6H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=164.368 kcal/mol

Physical Properties
Molecular Weight: 390.527 g/mol	logS: -4.78585	SlogP: 5.016	Reactive groups: 0

Topological Properties
Globularity: 0.307293	Sterimol/B1: 2.07768	Sterimol/B2: 3.2278	Sterimol/B3: 8.4792
Sterimol/B4: 8.94698	Sterimol/L: 15.5578

Surface and Volume Properties
Accessible surface: 694.039	Positive charged surface: 572.574	Negative charged surface: 121.464	Volume: 407.5
Hydrophobic surface: 692.006	Hydrophilic surface: 2.033

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.