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MMsINC code: MMs01251429

Type: Neutral
Formula: C₂₃H₃₀N₄

SMILES:

[nH]1c2c(cccc2)c(C(N2CCN(CC2)C)c2ccc(N(C)C)cc2)c1C

InChI:

InChI=1/C23H30N4/c1-17-22(20-7-5-6-8-21(20)24-17)23(27-15-13-26(4)14-16-27)18-9-11-19(12-10-18)25(2)3/h5-12,23-24H,13-16H2,1-4H3/t23-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=123.389 kcal/mol

Physical Properties
Molecular Weight: 362.521 g/mol	logS: -3.60166	SlogP: 3.97462	Reactive groups: 0

Topological Properties
Globularity: 0.302747	Sterimol/B1: 1.969	Sterimol/B2: 4.00122	Sterimol/B3: 8.43857
Sterimol/B4: 9.0224	Sterimol/L: 15.0507

Surface and Volume Properties
Accessible surface: 638.83	Positive charged surface: 508.287	Negative charged surface: 129.341	Volume: 383.75
Hydrophobic surface: 608.689	Hydrophilic surface: 30.141

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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

MMs01251431
ENAMINE-ZINC02502288